REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2qjr_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.667 174.600 0.111 0.000 1.055 39 S CA 0.000 58.296 58.200 0.160 0.000 1.107 39 S CB 0.000 63.270 63.200 0.117 0.000 0.593 40 R N 2.319 122.879 120.500 0.100 0.000 2.328 40 R HA 0.555 4.853 4.340 -0.070 0.000 0.114 40 R C -0.588 175.767 176.300 0.091 0.000 1.543 40 R CA -0.052 56.099 56.100 0.085 0.000 1.352 40 R CB -0.656 29.688 30.300 0.074 0.000 1.142 40 R HN 0.775 nan 8.270 nan 0.000 0.443 41 K N 0.679 121.136 120.400 0.094 0.000 2.319 41 K HA 0.161 4.439 4.320 -0.070 0.000 0.265 41 K C -0.271 176.396 176.600 0.111 0.000 1.000 41 K CA -0.039 56.309 56.287 0.103 0.000 0.943 41 K CB 0.379 32.947 32.500 0.115 0.000 0.950 41 K HN 0.543 nan 8.250 nan 0.000 0.485 42 T N -1.025 113.600 114.554 0.117 0.000 2.862 42 T HA 0.125 4.432 4.350 -0.070 0.000 0.276 42 T C -0.613 174.187 174.700 0.167 0.000 0.974 42 T CA -0.765 61.415 62.100 0.133 0.000 0.966 42 T CB 0.454 69.400 68.868 0.130 0.000 1.072 42 T HN 0.562 nan 8.240 nan 0.000 0.538 43 Y N 2.275 122.613 120.300 0.064 0.000 2.504 43 Y HA 0.389 4.897 4.550 -0.071 0.000 0.351 43 Y C 0.924 176.952 175.900 0.213 0.000 0.988 43 Y CA -0.430 57.724 58.100 0.089 0.000 1.239 43 Y CB -0.072 38.393 38.460 0.009 0.000 1.128 43 Y HN 1.036 nan 8.280 nan 0.000 0.525 44 T N 2.367 116.880 114.554 -0.069 0.000 2.824 44 T HA 0.126 4.434 4.350 -0.070 0.000 0.277 44 T C 0.952 175.582 174.700 -0.118 0.000 0.975 44 T CA -0.650 61.488 62.100 0.064 0.000 0.966 44 T CB 1.171 70.051 68.868 0.020 0.000 1.054 44 T HN 0.702 nan 8.240 nan 0.000 0.533 45 L N 0.771 121.783 121.223 -0.352 0.000 2.083 45 L HA 0.054 4.352 4.340 -0.070 0.000 0.209 45 L C 2.597 179.326 176.870 -0.236 0.000 1.083 45 L CA 2.075 56.531 54.840 -0.639 0.000 0.752 45 L CB -1.468 40.062 42.059 -0.882 0.000 0.899 45 L HN 0.938 nan 8.230 nan 0.000 0.433 46 T N -0.413 114.036 114.554 -0.175 0.000 2.788 46 T HA -0.153 4.155 4.350 -0.070 0.000 0.268 46 T C 1.466 176.095 174.700 -0.118 0.000 1.044 46 T CA 1.488 63.518 62.100 -0.117 0.000 1.139 46 T CB -0.314 68.510 68.868 -0.072 0.000 0.867 46 T HN 0.409 nan 8.240 nan 0.000 0.454 47 D N -0.013 120.286 120.400 -0.169 0.000 2.097 47 D HA -0.074 4.524 4.640 -0.070 0.000 0.195 47 D C 1.726 177.970 176.300 -0.094 0.000 0.989 47 D CA 0.943 54.835 54.000 -0.179 0.000 0.827 47 D CB -0.383 40.167 40.800 -0.416 0.000 0.966 47 D HN 0.397 nan 8.370 nan 0.000 0.456 48 Y N 1.710 121.858 120.300 -0.253 0.000 2.089 48 Y HA -0.135 4.373 4.550 -0.071 0.000 0.282 48 Y C 2.201 178.113 175.900 0.019 0.000 1.139 48 Y CA 1.290 59.404 58.100 0.023 0.000 1.123 48 Y CB -0.719 37.794 38.460 0.089 0.000 0.980 48 Y HN -0.099 nan 8.280 nan 0.000 0.493 49 L N 0.071 121.093 121.223 -0.335 0.000 2.079 49 L HA -0.211 4.086 4.340 -0.070 0.000 0.210 49 L C 1.924 178.666 176.870 -0.214 0.000 1.081 49 L CA 1.572 56.172 54.840 -0.399 0.000 0.752 49 L CB -0.537 41.388 42.059 -0.223 0.000 0.896 49 L HN 0.111 nan 8.230 nan 0.000 0.433 50 K N 0.040 120.363 120.400 -0.130 0.000 2.410 50 K HA 0.059 4.336 4.320 -0.070 0.000 0.200 50 K C 0.034 176.601 176.600 -0.056 0.000 1.023 50 K CA -0.113 56.126 56.287 -0.080 0.000 1.149 50 K CB -0.370 32.091 32.500 -0.064 0.000 0.859 50 K HN 0.303 nan 8.250 nan 0.000 0.514 51 N N 1.391 120.069 118.700 -0.037 0.000 2.705 51 N HA -0.211 4.486 4.740 -0.070 0.000 0.255 51 N C 0.165 175.687 175.510 0.020 0.000 1.008 51 N CA 0.268 53.338 53.050 0.033 0.000 0.742 51 N CB -0.285 38.212 38.487 0.017 0.000 0.906 51 N HN 0.088 nan 8.380 nan 0.000 0.541 52 T N -0.232 114.320 114.554 -0.004 0.000 2.746 52 T HA -0.146 4.162 4.350 -0.070 0.000 0.267 52 T C 0.147 174.677 174.700 -0.285 0.000 1.039 52 T CA 1.349 63.345 62.100 -0.174 0.000 1.142 52 T CB -0.086 68.630 68.868 -0.254 0.000 0.866 52 T HN 0.369 nan 8.240 nan 0.000 0.444 53 Y N 1.718 122.110 120.300 0.153 0.000 2.491 53 Y HA 0.461 4.968 4.550 -0.070 0.000 0.334 53 Y C 0.277 176.286 175.900 0.182 0.000 0.969 53 Y CA -1.006 57.203 58.100 0.182 0.000 1.241 53 Y CB 0.464 39.081 38.460 0.261 0.000 1.105 53 Y HN -0.164 nan 8.280 nan 0.000 0.503 54 R N 3.646 124.278 120.500 0.220 0.000 2.229 54 R HA 0.423 4.721 4.340 -0.070 0.000 0.328 54 R C -0.743 175.662 176.300 0.176 0.000 1.009 54 R CA -0.665 55.538 56.100 0.171 0.000 0.864 54 R CB 1.087 31.445 30.300 0.097 0.000 1.085 54 R HN 0.613 nan 8.270 nan 0.000 0.453 55 L N 3.716 125.053 121.223 0.190 0.000 2.462 55 L HA 0.123 4.420 4.340 -0.070 0.000 0.272 55 L C 0.723 177.678 176.870 0.142 0.000 1.166 55 L CA 0.372 55.318 54.840 0.176 0.000 0.880 55 L CB 0.101 42.284 42.059 0.207 0.000 1.142 55 L HN 0.403 nan 8.230 nan 0.000 0.473 56 K N 3.905 124.386 120.400 0.135 0.000 2.118 56 K HA 0.619 4.896 4.320 -0.070 0.000 0.264 56 K C -0.501 176.166 176.600 0.112 0.000 1.000 56 K CA -0.575 55.775 56.287 0.105 0.000 0.929 56 K CB 1.466 34.022 32.500 0.093 0.000 1.021 56 K HN 0.421 nan 8.250 nan 0.000 0.463 57 L N 1.112 122.322 121.223 -0.022 0.000 2.271 57 L HA 0.458 4.756 4.340 -0.070 0.000 0.265 57 L C -0.937 175.646 176.870 -0.477 0.000 1.013 57 L CA -1.080 53.613 54.840 -0.245 0.000 0.820 57 L CB 0.944 42.946 42.059 -0.095 0.000 1.352 57 L HN 0.538 nan 8.230 nan 0.000 0.443 58 Y N 0.319 120.007 120.300 -1.020 0.000 2.609 58 Y HA 0.333 4.838 4.550 -0.075 0.000 0.350 58 Y C -0.664 175.045 175.900 -0.318 0.000 1.050 58 Y CA -0.467 57.293 58.100 -0.567 0.000 1.290 58 Y CB 1.341 39.372 38.460 -0.715 0.000 1.094 58 Y HN 0.434 nan 8.280 nan 0.000 0.583 59 S N 6.409 121.982 115.700 -0.211 0.000 2.411 59 S HA 0.519 4.947 4.470 -0.070 0.000 0.294 59 S C -0.559 173.950 174.600 -0.151 0.000 1.115 59 S CA -0.597 57.521 58.200 -0.137 0.000 1.071 59 S CB 0.180 63.309 63.200 -0.117 0.000 0.967 59 S HN 0.549 nan 8.310 nan 0.000 0.488 60 L N 1.483 122.595 121.223 -0.184 0.000 2.303 60 L HA 0.737 5.035 4.340 -0.070 0.000 0.266 60 L C -0.521 176.215 176.870 -0.224 0.000 1.011 60 L CA -0.969 53.715 54.840 -0.261 0.000 0.818 60 L CB 1.021 42.648 42.059 -0.719 0.000 1.326 60 L HN 0.467 nan 8.230 nan 0.000 0.435 61 R N 0.922 121.328 120.500 -0.157 0.000 2.435 61 R HA 0.387 4.685 4.340 -0.070 0.000 0.308 61 R C -1.478 174.817 176.300 -0.008 0.000 0.975 61 R CA -0.350 55.724 56.100 -0.043 0.000 0.867 61 R CB 1.488 31.808 30.300 0.033 0.000 1.171 61 R HN 0.651 nan 8.270 nan 0.000 0.470 62 W N 4.391 125.777 121.300 0.144 0.000 2.210 62 W HA 0.109 4.731 4.660 -0.064 0.000 0.330 62 W C 1.479 178.086 176.519 0.147 0.000 1.334 62 W CA -0.312 57.141 57.345 0.179 0.000 1.227 62 W CB 0.466 30.032 29.460 0.177 0.000 1.178 62 W HN 0.636 nan 8.180 nan 0.000 0.560 63 I N 0.496 121.315 120.570 0.416 0.000 4.225 63 I HA 0.394 4.521 4.170 -0.070 0.000 0.327 63 I C 0.312 176.580 176.117 0.252 0.000 1.422 63 I CA -0.238 61.208 61.300 0.244 0.000 1.150 63 I CB -0.204 37.861 38.000 0.109 0.000 1.192 63 I HN 0.257 nan 8.210 nan 0.000 0.440 64 S N 0.032 115.944 115.700 0.352 0.000 2.660 64 S HA 0.134 4.562 4.470 -0.070 0.000 0.264 64 S C -0.223 174.585 174.600 0.346 0.000 1.131 64 S CA -0.066 58.327 58.200 0.321 0.000 0.846 64 S CB 0.515 63.930 63.200 0.358 0.000 1.151 64 S HN 0.262 nan 8.310 nan 0.000 0.486 65 D N 0.554 121.127 120.400 0.289 0.000 2.348 65 D HA -0.078 4.520 4.640 -0.070 0.000 0.216 65 D C 1.124 177.683 176.300 0.433 0.000 0.970 65 D CA 1.653 55.783 54.000 0.217 0.000 0.889 65 D CB -0.530 40.344 40.800 0.124 0.000 0.912 65 D HN 0.849 nan 8.370 nan 0.000 0.524 66 H N -1.567 117.689 119.070 0.311 0.000 3.540 66 H HA 0.398 4.915 4.556 -0.064 0.000 0.259 66 H C -0.384 175.123 175.328 0.298 0.000 1.197 66 H CA -0.417 55.823 56.048 0.320 0.000 1.136 66 H CB 0.058 29.985 29.762 0.276 0.000 1.605 66 H HN -0.008 nan 8.280 nan 0.000 0.657 67 E N 1.010 121.347 120.200 0.228 0.000 2.266 67 E HA 0.388 4.695 4.350 -0.070 0.000 0.268 67 E C -1.382 175.386 176.600 0.279 0.000 0.879 67 E CA -1.167 55.252 56.400 0.031 0.000 0.762 67 E CB 2.897 32.503 29.700 -0.156 0.000 1.199 67 E HN 0.317 nan 8.360 nan 0.000 0.422 68 Y N -0.362 119.920 120.300 -0.030 0.000 2.570 68 Y HA 0.615 5.128 4.550 -0.061 0.000 0.345 68 Y C -1.093 174.771 175.900 -0.060 0.000 1.014 68 Y CA -1.347 56.652 58.100 -0.170 0.000 1.063 68 Y CB 0.825 38.884 38.460 -0.668 0.000 1.272 68 Y HN 0.286 nan 8.280 nan 0.000 0.477 69 L N 3.253 124.559 121.223 0.138 0.000 2.312 69 L HA 0.413 4.711 4.340 -0.070 0.000 0.281 69 L C -1.155 175.884 176.870 0.281 0.000 1.070 69 L CA -0.711 54.202 54.840 0.121 0.000 0.805 69 L CB 1.061 43.121 42.059 0.002 0.000 1.174 69 L HN 0.792 nan 8.230 nan 0.000 0.434 70 Y N 2.996 123.394 120.300 0.164 0.000 2.470 70 Y HA 0.334 4.834 4.550 -0.085 0.000 0.341 70 Y C -0.858 175.084 175.900 0.069 0.000 1.021 70 Y CA -1.109 57.026 58.100 0.058 0.000 1.025 70 Y CB 1.722 40.178 38.460 -0.006 0.000 1.266 70 Y HN 0.405 nan 8.280 nan 0.000 0.448 71 K N 5.037 124.996 120.400 -0.734 0.000 2.334 71 K HA 0.237 4.515 4.320 -0.070 0.000 0.265 71 K C -1.022 175.183 176.600 -0.658 0.000 1.039 71 K CA -0.500 55.501 56.287 -0.476 0.000 0.920 71 K CB 0.848 33.198 32.500 -0.250 0.000 1.160 71 K HN 0.785 nan 8.250 nan 0.000 0.451 72 Q N 3.959 123.629 119.800 -0.217 0.000 2.560 72 Q HA 0.055 4.353 4.340 -0.070 0.000 0.238 72 Q C -1.232 174.767 176.000 -0.001 0.000 1.079 72 Q CA -0.369 55.442 55.803 0.014 0.000 0.866 72 Q CB 0.617 29.527 28.738 0.287 0.000 1.153 72 Q HN 0.544 nan 8.270 nan 0.000 0.530 73 E N 2.725 122.899 120.200 -0.044 0.000 2.912 73 E HA -0.278 4.030 4.350 -0.070 0.000 0.194 73 E C -0.806 175.773 176.600 -0.035 0.000 1.990 73 E CA 0.931 57.310 56.400 -0.035 0.000 0.758 73 E CB -1.161 28.533 29.700 -0.011 0.000 1.013 73 E HN 0.898 nan 8.360 nan 0.000 0.334 74 N N 1.510 120.181 118.700 -0.048 0.000 2.716 74 N HA -0.237 4.461 4.740 -0.070 0.000 0.250 74 N C -1.279 174.202 175.510 -0.047 0.000 1.033 74 N CA 1.403 54.427 53.050 -0.044 0.000 0.727 74 N CB -0.581 37.886 38.487 -0.034 0.000 0.950 74 N HN 0.511 nan 8.380 nan 0.000 0.541 75 N N -0.225 118.446 118.700 -0.049 0.000 2.264 75 N HA 0.442 5.140 4.740 -0.070 0.000 0.288 75 N C -0.743 174.742 175.510 -0.041 0.000 1.094 75 N CA -0.471 52.553 53.050 -0.043 0.000 0.817 75 N CB 1.359 39.831 38.487 -0.024 0.000 1.604 75 N HN 0.034 nan 8.380 nan 0.000 0.473 76 I N 2.536 123.088 120.570 -0.030 0.000 2.342 76 I HA 0.298 4.426 4.170 -0.070 0.000 0.291 76 I C -0.071 176.093 176.117 0.078 0.000 1.010 76 I CA -0.311 60.992 61.300 0.005 0.000 1.308 76 I CB 0.765 38.762 38.000 -0.005 0.000 1.400 76 I HN 0.192 nan 8.210 nan 0.000 0.488 77 L N 6.967 128.251 121.223 0.102 0.000 2.325 77 L HA 0.565 4.862 4.340 -0.070 0.000 0.278 77 L C -0.346 176.569 176.870 0.076 0.000 1.023 77 L CA -0.879 54.001 54.840 0.067 0.000 0.811 77 L CB 2.005 44.100 42.059 0.061 0.000 1.249 77 L HN 0.319 nan 8.230 nan 0.000 0.431 78 V N 3.346 123.224 119.914 -0.060 0.000 2.394 78 V HA 0.501 4.579 4.120 -0.070 0.000 0.282 78 V C -0.860 175.076 176.094 -0.263 0.000 1.031 78 V CA -0.166 62.070 62.300 -0.106 0.000 0.881 78 V CB 1.175 32.931 31.823 -0.112 0.000 0.982 78 V HN 0.443 nan 8.190 nan 0.000 0.451 79 F N 5.007 124.650 119.950 -0.512 0.000 2.492 79 F HA 0.497 5.012 4.527 -0.020 0.000 0.327 79 F C 0.482 175.934 175.800 -0.580 0.000 1.079 79 F CA -0.681 56.939 58.000 -0.633 0.000 0.967 79 F CB 1.526 39.841 39.000 -1.141 0.000 1.169 79 F HN 0.459 nan 8.300 nan 0.000 0.472 80 N N 1.638 120.228 118.700 -0.183 0.000 2.426 80 N HA 0.283 4.980 4.740 -0.070 0.000 0.257 80 N C 0.489 175.918 175.510 -0.135 0.000 1.002 80 N CA 0.115 53.071 53.050 -0.157 0.000 0.942 80 N CB 1.777 40.244 38.487 -0.034 0.000 1.112 80 N HN 0.802 nan 8.380 nan 0.000 0.499 81 A N 3.583 126.282 122.820 -0.200 0.000 1.933 81 A HA -0.170 4.108 4.320 -0.070 0.000 0.218 81 A C 1.871 179.189 177.584 -0.443 0.000 1.175 81 A CA 1.509 53.366 52.037 -0.299 0.000 0.628 81 A CB -0.302 18.407 19.000 -0.485 0.000 0.814 81 A HN 0.787 nan 8.150 nan 0.000 0.444 82 E N -1.357 118.565 120.200 -0.464 0.000 2.107 82 E HA -0.135 4.172 4.350 -0.070 0.000 0.191 82 E C 1.292 177.623 176.600 -0.448 0.000 0.982 82 E CA 1.575 57.708 56.400 -0.446 0.000 0.809 82 E CB -0.296 29.105 29.700 -0.498 0.000 0.756 82 E HN 0.705 nan 8.360 nan 0.000 0.459 83 Y N -1.908 118.378 120.300 -0.023 0.000 2.535 83 Y HA 0.380 4.886 4.550 -0.073 0.000 0.264 83 Y C 1.713 177.599 175.900 -0.023 0.000 1.087 83 Y CA 0.312 58.405 58.100 -0.012 0.000 1.285 83 Y CB 0.886 39.342 38.460 -0.006 0.000 1.200 83 Y HN 0.169 nan 8.280 nan 0.000 0.514 84 G N 0.971 109.831 108.800 0.101 0.000 2.176 84 G HA2 -0.328 3.589 3.960 -0.070 0.000 0.253 84 G HA3 -0.328 3.589 3.960 -0.070 0.000 0.253 84 G C 0.141 175.076 174.900 0.058 0.000 0.979 84 G CA 0.176 45.328 45.100 0.087 0.000 0.641 84 G HN 0.479 nan 8.290 nan 0.000 0.530 85 N N 0.734 119.449 118.700 0.024 0.000 2.441 85 N HA 0.427 5.125 4.740 -0.070 0.000 0.251 85 N C 0.081 175.467 175.510 -0.206 0.000 1.242 85 N CA 1.006 54.012 53.050 -0.072 0.000 0.898 85 N CB 1.263 39.717 38.487 -0.055 0.000 1.100 85 N HN 1.028 nan 8.380 nan 0.000 0.443 86 S N -0.155 115.354 115.700 -0.319 0.000 2.627 86 S HA 0.786 5.214 4.470 -0.070 0.000 0.283 86 S C -0.955 173.459 174.600 -0.309 0.000 1.127 86 S CA -0.824 57.069 58.200 -0.511 0.000 0.863 86 S CB 1.369 63.889 63.200 -1.132 0.000 1.121 86 S HN 0.841 nan 8.310 nan 0.000 0.479 87 S N -0.068 115.474 115.700 -0.263 0.000 2.588 87 S HA 0.671 5.099 4.470 -0.070 0.000 0.275 87 S C -0.647 173.889 174.600 -0.107 0.000 1.130 87 S CA -0.757 57.352 58.200 -0.150 0.000 0.855 87 S CB 1.071 64.217 63.200 -0.091 0.000 1.116 87 S HN 1.695 nan 8.310 nan 0.000 0.472 88 V N 2.382 122.254 119.914 -0.070 0.000 2.521 88 V HA 0.377 4.455 4.120 -0.070 0.000 0.286 88 V C 0.412 176.525 176.094 0.032 0.000 1.034 88 V CA -0.053 62.232 62.300 -0.025 0.000 1.045 88 V CB 0.341 32.134 31.823 -0.050 0.000 0.974 88 V HN 0.890 nan 8.190 nan 0.000 0.480 89 F N 6.141 126.033 119.950 -0.097 0.000 2.188 89 F HA 0.434 4.906 4.527 -0.090 0.000 0.289 89 F C 0.387 176.127 175.800 -0.100 0.000 1.082 89 F CA 0.889 58.837 58.000 -0.087 0.000 1.282 89 F CB 0.433 39.388 39.000 -0.074 0.000 1.060 89 F HN 0.460 nan 8.300 nan 0.000 0.493 90 L N 0.924 122.130 121.223 -0.030 0.000 2.505 90 L HA 0.320 4.618 4.340 -0.070 0.000 0.266 90 L C -1.037 175.762 176.870 -0.118 0.000 0.954 90 L CA -0.542 54.202 54.840 -0.160 0.000 0.852 90 L CB 1.660 43.642 42.059 -0.127 0.000 1.282 90 L HN -0.078 nan 8.230 nan 0.000 0.403 91 E N 2.777 122.878 120.200 -0.165 0.000 2.338 91 E HA 0.120 4.427 4.350 -0.070 0.000 0.272 91 E C -0.016 176.485 176.600 -0.164 0.000 1.029 91 E CA -0.218 56.095 56.400 -0.145 0.000 0.872 91 E CB 0.935 30.544 29.700 -0.152 0.000 1.015 91 E HN 0.511 nan 8.360 nan 0.000 0.417 92 N N 1.093 119.735 118.700 -0.096 0.000 2.309 92 N HA -0.165 4.533 4.740 -0.070 0.000 0.182 92 N C 1.760 177.224 175.510 -0.077 0.000 1.018 92 N CA 1.244 54.269 53.050 -0.043 0.000 0.876 92 N CB -0.182 38.295 38.487 -0.016 0.000 0.972 92 N HN 0.521 nan 8.380 nan 0.000 0.434 93 S N -0.562 115.072 115.700 -0.109 0.000 2.407 93 S HA -0.231 4.197 4.470 -0.070 0.000 0.235 93 S C 1.874 176.347 174.600 -0.212 0.000 1.036 93 S CA 1.772 59.901 58.200 -0.119 0.000 1.013 93 S CB -1.087 62.047 63.200 -0.110 0.000 0.820 93 S HN 0.264 nan 8.310 nan 0.000 0.476 94 T N 1.425 115.740 114.554 -0.397 0.000 2.714 94 T HA -0.118 4.189 4.350 -0.070 0.000 0.268 94 T C 0.511 174.750 174.700 -0.769 0.000 1.036 94 T CA 1.752 63.417 62.100 -0.726 0.000 1.148 94 T CB -0.547 67.548 68.868 -1.288 0.000 0.856 94 T HN 0.641 nan 8.240 nan 0.000 0.462 95 F N 0.672 120.542 119.950 -0.134 0.000 2.850 95 F HA 0.378 4.864 4.527 -0.068 0.000 0.306 95 F C 1.124 176.929 175.800 0.008 0.000 1.162 95 F CA -1.073 56.883 58.000 -0.074 0.000 1.327 95 F CB -0.005 38.852 39.000 -0.238 0.000 0.953 95 F HN -0.074 nan 8.300 nan 0.000 0.507 96 D N 0.828 121.275 120.400 0.078 0.000 2.178 96 D HA -0.115 4.483 4.640 -0.070 0.000 0.202 96 D C 1.092 177.440 176.300 0.081 0.000 0.974 96 D CA 1.383 55.420 54.000 0.061 0.000 0.841 96 D CB 0.149 40.953 40.800 0.008 0.000 0.953 96 D HN 0.328 nan 8.370 nan 0.000 0.478 97 E N -0.904 119.353 120.200 0.096 0.000 2.609 97 E HA 0.121 4.429 4.350 -0.070 0.000 0.208 97 E C 0.587 177.269 176.600 0.137 0.000 1.013 97 E CA -0.349 56.100 56.400 0.081 0.000 1.093 97 E CB -0.178 29.545 29.700 0.039 0.000 1.129 97 E HN 0.125 nan 8.360 nan 0.000 0.450 98 F N 0.760 120.743 119.950 0.055 0.000 2.259 98 F HA 0.065 4.552 4.527 -0.067 0.000 0.298 98 F C 1.809 177.599 175.800 -0.016 0.000 1.088 98 F CA 1.720 59.755 58.000 0.058 0.000 1.358 98 F CB 0.229 39.284 39.000 0.091 0.000 1.040 98 F HN 0.245 nan 8.300 nan 0.000 0.505 99 G N -0.285 108.488 108.800 -0.045 0.000 2.176 99 G HA2 -0.294 3.624 3.960 -0.070 0.000 0.253 99 G HA3 -0.294 3.624 3.960 -0.070 0.000 0.253 99 G C -0.194 174.417 174.900 -0.481 0.000 0.979 99 G CA 0.346 45.279 45.100 -0.278 0.000 0.641 99 G HN 0.618 nan 8.290 nan 0.000 0.530 100 H N -0.539 118.497 119.070 -0.056 0.000 2.806 100 H HA 0.657 5.170 4.556 -0.072 0.000 0.367 100 H C -0.197 175.216 175.328 0.143 0.000 1.136 100 H CA -0.008 56.044 56.048 0.006 0.000 1.178 100 H CB 1.797 31.433 29.762 -0.209 0.000 1.718 100 H HN 0.156 nan 8.280 nan 0.000 0.540 101 S N 2.222 118.055 115.700 0.223 0.000 2.488 101 S HA 0.189 4.616 4.470 -0.070 0.000 0.278 101 S C 0.120 174.808 174.600 0.147 0.000 1.259 101 S CA -0.516 57.772 58.200 0.146 0.000 1.061 101 S CB -0.335 62.926 63.200 0.103 0.000 0.910 101 S HN 0.385 nan 8.310 nan 0.000 0.491 102 I N 5.559 126.161 120.570 0.054 0.000 2.337 102 I HA 0.135 4.262 4.170 -0.070 0.000 0.291 102 I C 1.381 177.491 176.117 -0.012 0.000 1.046 102 I CA -0.272 61.021 61.300 -0.012 0.000 1.324 102 I CB 0.953 38.841 38.000 -0.187 0.000 1.409 102 I HN 0.722 nan 8.210 nan 0.000 0.494 103 N N 3.710 122.406 118.700 -0.006 0.000 2.250 103 N HA -0.085 4.613 4.740 -0.070 0.000 0.181 103 N C 0.071 175.524 175.510 -0.095 0.000 1.017 103 N CA 1.056 54.054 53.050 -0.086 0.000 0.866 103 N CB 0.386 38.796 38.487 -0.128 0.000 0.985 103 N HN 0.689 nan 8.380 nan 0.000 0.429 104 D N -2.833 117.545 120.400 -0.037 0.000 2.738 104 D HA 0.157 4.755 4.640 -0.070 0.000 0.308 104 D C -1.799 174.554 176.300 0.088 0.000 1.311 104 D CA -0.532 53.462 54.000 -0.011 0.000 0.799 104 D CB 0.568 41.329 40.800 -0.064 0.000 1.332 104 D HN 0.059 nan 8.370 nan 0.000 0.441 105 Y N -1.256 119.050 120.300 0.010 0.000 2.597 105 Y HA 0.730 5.243 4.550 -0.062 0.000 0.340 105 Y C -1.530 174.442 175.900 0.121 0.000 1.097 105 Y CA -0.896 57.228 58.100 0.040 0.000 1.037 105 Y CB 1.676 40.131 38.460 -0.008 0.000 1.305 105 Y HN 0.186 nan 8.280 nan 0.000 0.463 106 S N 2.907 118.823 115.700 0.360 0.000 2.720 106 S HA 0.613 5.041 4.470 -0.070 0.000 0.278 106 S C -1.404 173.542 174.600 0.577 0.000 1.172 106 S CA -0.569 57.847 58.200 0.360 0.000 1.019 106 S CB 0.259 63.673 63.200 0.358 0.000 1.049 106 S HN 0.696 nan 8.310 nan 0.000 0.483 107 I N 4.336 125.158 120.570 0.420 0.000 2.428 107 I HA 0.266 4.393 4.170 -0.070 0.000 0.289 107 I C 0.954 176.963 176.117 -0.180 0.000 1.019 107 I CA -0.427 61.017 61.300 0.239 0.000 1.351 107 I CB 1.630 39.789 38.000 0.265 0.000 1.412 107 I HN 0.752 nan 8.210 nan 0.000 0.513 108 S N 6.022 121.353 115.700 -0.614 0.000 2.560 108 S HA 0.149 4.577 4.470 -0.070 0.000 0.284 108 S C -1.807 172.514 174.600 -0.465 0.000 1.327 108 S CA -0.959 56.494 58.200 -1.245 0.000 1.055 108 S CB 0.768 63.148 63.200 -1.366 0.000 0.868 108 S HN 0.416 nan 8.310 nan 0.000 0.506 109 P HA -0.126 nan 4.420 nan 0.000 0.217 109 P C 0.725 177.990 177.300 -0.059 0.000 1.148 109 P CA 1.453 64.483 63.100 -0.117 0.000 0.828 109 P CB -0.147 31.512 31.700 -0.068 0.000 0.783 110 D N -2.130 118.232 120.400 -0.064 0.000 2.328 110 D HA 0.096 4.694 4.640 -0.070 0.000 0.226 110 D C 1.465 177.772 176.300 0.012 0.000 1.066 110 D CA 0.445 54.450 54.000 0.008 0.000 0.861 110 D CB -0.951 39.888 40.800 0.065 0.000 0.912 110 D HN 0.224 nan 8.370 nan 0.000 0.521 111 G N 0.527 109.328 108.800 0.002 0.000 2.245 111 G HA2 -0.443 3.475 3.960 -0.070 0.000 0.264 111 G HA3 -0.443 3.475 3.960 -0.070 0.000 0.264 111 G C 1.122 176.016 174.900 -0.011 0.000 0.985 111 G CA 0.543 45.696 45.100 0.089 0.000 0.625 111 G HN 0.451 nan 8.290 nan 0.000 0.536 112 Q N -1.171 118.537 119.800 -0.155 0.000 2.167 112 Q HA 0.222 4.519 4.340 -0.070 0.000 0.202 112 Q C 0.291 175.805 176.000 -0.811 0.000 0.970 112 Q CA 1.013 56.505 55.803 -0.519 0.000 0.855 112 Q CB 0.078 28.428 28.738 -0.647 0.000 0.911 112 Q HN 0.599 nan 8.270 nan 0.000 0.438 113 F N -1.130 118.795 119.950 -0.041 0.000 2.599 113 F HA 0.486 4.973 4.527 -0.067 0.000 0.311 113 F C -0.559 175.344 175.800 0.172 0.000 1.076 113 F CA -1.130 56.926 58.000 0.093 0.000 0.937 113 F CB 1.574 40.674 39.000 0.166 0.000 1.282 113 F HN -0.202 nan 8.300 nan 0.000 0.460 114 I N 2.762 123.644 120.570 0.520 0.000 2.465 114 I HA 0.487 4.615 4.170 -0.070 0.000 0.291 114 I C -1.605 174.831 176.117 0.532 0.000 1.014 114 I CA -1.085 60.512 61.300 0.496 0.000 1.093 114 I CB 1.402 39.606 38.000 0.341 0.000 1.267 114 I HN 0.512 nan 8.210 nan 0.000 0.431 115 L N 8.173 129.753 121.223 0.594 0.000 2.319 115 L HA 0.402 4.700 4.340 -0.070 0.000 0.280 115 L C -1.053 175.971 176.870 0.256 0.000 1.099 115 L CA 0.225 55.290 54.840 0.375 0.000 0.828 115 L CB 0.793 43.019 42.059 0.278 0.000 1.150 115 L HN 0.480 nan 8.230 nan 0.000 0.442 116 L N 5.147 126.468 121.223 0.164 0.000 2.298 116 L HA 0.484 4.782 4.340 -0.070 0.000 0.284 116 L C -0.088 176.865 176.870 0.138 0.000 1.013 116 L CA -0.378 54.470 54.840 0.013 0.000 0.824 116 L CB 1.438 43.291 42.059 -0.344 0.000 1.221 116 L HN 0.577 nan 8.230 nan 0.000 0.418 117 E N 3.846 124.088 120.200 0.069 0.000 2.146 117 E HA 0.398 4.706 4.350 -0.070 0.000 0.282 117 E C -1.486 175.122 176.600 0.014 0.000 0.989 117 E CA -0.507 55.822 56.400 -0.119 0.000 0.799 117 E CB 0.897 30.579 29.700 -0.031 0.000 1.088 117 E HN 0.457 nan 8.360 nan 0.000 0.397 118 Y N 1.735 121.906 120.300 -0.215 0.000 2.805 118 Y HA 0.469 4.977 4.550 -0.070 0.000 0.323 118 Y C 0.088 175.933 175.900 -0.092 0.000 1.279 118 Y CA -1.721 56.328 58.100 -0.084 0.000 1.103 118 Y CB 0.353 38.828 38.460 0.024 0.000 1.324 118 Y HN 0.463 nan 8.280 nan 0.000 0.498 119 N N -0.710 118.028 118.700 0.063 0.000 2.725 119 N HA -0.291 4.407 4.740 -0.070 0.000 0.249 119 N C -1.114 174.375 175.510 -0.035 0.000 1.103 119 N CA 0.931 53.965 53.050 -0.026 0.000 0.707 119 N CB -1.690 36.663 38.487 -0.222 0.000 1.043 119 N HN 0.833 nan 8.380 nan 0.000 0.553 120 Y N 0.203 120.440 120.300 -0.105 0.000 2.544 120 Y HA 0.347 4.856 4.550 -0.069 0.000 0.330 120 Y C -0.057 175.808 175.900 -0.058 0.000 1.136 120 Y CA -0.211 57.820 58.100 -0.115 0.000 1.417 120 Y CB 0.738 39.082 38.460 -0.193 0.000 1.229 120 Y HN -0.029 nan 8.280 nan 0.000 0.532 121 V N 7.960 127.563 119.914 -0.518 0.000 2.376 121 V HA 0.213 4.291 4.120 -0.070 0.000 0.287 121 V C -0.183 175.550 176.094 -0.602 0.000 1.015 121 V CA -1.448 60.598 62.300 -0.423 0.000 0.834 121 V CB 1.130 32.831 31.823 -0.205 0.000 1.001 121 V HN 0.739 nan 8.190 nan 0.000 0.428 122 K N 3.432 123.494 120.400 -0.564 0.000 2.489 122 K HA 0.093 4.371 4.320 -0.070 0.000 0.278 122 K C 0.545 176.988 176.600 -0.262 0.000 1.000 122 K CA 0.416 56.523 56.287 -0.300 0.000 1.012 122 K CB 0.923 33.411 32.500 -0.020 0.000 0.903 122 K HN 0.828 nan 8.250 nan 0.000 0.485 123 Q N 3.119 122.738 119.800 -0.302 0.000 2.679 123 Q HA 0.160 4.458 4.340 -0.070 0.000 0.255 123 Q C -0.054 175.664 176.000 -0.469 0.000 1.053 123 Q CA -0.255 55.162 55.803 -0.643 0.000 0.620 123 Q CB 0.098 28.324 28.738 -0.855 0.000 3.775 123 Q HN 0.707 nan 8.270 nan 0.000 0.446 124 W N -0.080 121.220 121.300 -0.001 0.000 1.941 124 W HA 0.405 5.023 4.660 -0.070 0.000 0.629 124 W C 1.791 178.298 176.519 -0.020 0.000 1.517 124 W CA -0.794 56.577 57.345 0.045 0.000 1.502 124 W CB -0.163 29.296 29.460 -0.002 0.000 3.266 124 W HN 0.251 nan 8.180 nan 0.000 0.765 125 R N -0.459 120.136 120.500 0.158 0.000 2.073 125 R HA -0.146 4.152 4.340 -0.070 0.000 0.234 125 R C 1.681 177.831 176.300 -0.250 0.000 1.134 125 R CA 1.840 57.868 56.100 -0.121 0.000 0.952 125 R CB -0.477 29.611 30.300 -0.354 0.000 0.850 125 R HN 0.522 nan 8.270 nan 0.000 0.433 126 H N -1.158 117.983 119.070 0.119 0.000 2.885 126 H HA 0.180 4.694 4.556 -0.071 0.000 0.260 126 H C 0.529 175.926 175.328 0.116 0.000 0.985 126 H CA 0.344 56.486 56.048 0.157 0.000 1.210 126 H CB 0.470 30.309 29.762 0.127 0.000 1.466 126 H HN 0.144 nan 8.280 nan 0.000 0.493 127 S N 1.395 117.068 115.700 -0.045 0.000 2.603 127 S HA 0.406 4.834 4.470 -0.070 0.000 0.268 127 S C -0.391 174.076 174.600 -0.222 0.000 1.317 127 S CA -0.552 57.316 58.200 -0.553 0.000 1.012 127 S CB 0.902 63.287 63.200 -1.358 0.000 0.926 127 S HN 0.450 nan 8.310 nan 0.000 0.539 128 Y N -2.615 117.537 120.300 -0.248 0.000 2.687 128 Y HA 0.610 5.117 4.550 -0.070 0.000 0.338 128 Y C -0.737 175.126 175.900 -0.062 0.000 1.189 128 Y CA -1.023 56.927 58.100 -0.250 0.000 1.097 128 Y CB 0.257 38.523 38.460 -0.323 0.000 1.342 128 Y HN 0.874 nan 8.280 nan 0.000 0.461 129 T N -0.026 114.590 114.554 0.104 0.000 2.938 129 T HA 1.039 5.347 4.350 -0.070 0.000 0.285 129 T C -0.294 174.501 174.700 0.157 0.000 1.028 129 T CA -0.254 61.940 62.100 0.156 0.000 1.005 129 T CB 1.796 70.704 68.868 0.068 0.000 1.157 129 T HN 1.967 nan 8.240 nan 0.000 0.550 130 A N 0.485 123.361 122.820 0.094 0.000 2.544 130 A HA 0.694 4.971 4.320 -0.070 0.000 0.291 130 A C -0.561 176.792 177.584 -0.385 0.000 1.055 130 A CA -1.026 50.911 52.037 -0.167 0.000 0.651 130 A CB 0.665 19.544 19.000 -0.202 0.000 1.296 130 A HN 0.918 nan 8.150 nan 0.000 0.431 131 S N -0.729 114.529 115.700 -0.738 0.000 2.687 131 S HA 0.840 5.268 4.470 -0.070 0.000 0.283 131 S C -1.369 172.540 174.600 -1.150 0.000 1.170 131 S CA -0.165 57.517 58.200 -0.862 0.000 1.008 131 S CB 0.666 63.180 63.200 -1.144 0.000 1.026 131 S HN 0.528 nan 8.310 nan 0.000 0.541 132 Y N -0.245 119.834 120.300 -0.368 0.000 2.441 132 Y HA 0.423 4.930 4.550 -0.072 0.000 0.334 132 Y C -0.837 175.102 175.900 0.065 0.000 1.061 132 Y CA -0.887 57.146 58.100 -0.112 0.000 1.032 132 Y CB 1.797 40.137 38.460 -0.200 0.000 1.266 132 Y HN 0.547 nan 8.280 nan 0.000 0.441 133 D N 2.628 123.258 120.400 0.384 0.000 2.481 133 D HA 0.637 5.235 4.640 -0.070 0.000 0.244 133 D C -0.951 175.501 176.300 0.253 0.000 1.057 133 D CA -0.271 53.927 54.000 0.331 0.000 0.848 133 D CB 1.830 42.932 40.800 0.503 0.000 1.388 133 D HN 0.349 nan 8.370 nan 0.000 0.475 134 I N 2.162 122.863 120.570 0.218 0.000 2.441 134 I HA 0.329 4.456 4.170 -0.070 0.000 0.295 134 I C -1.129 175.198 176.117 0.350 0.000 0.994 134 I CA -1.031 60.428 61.300 0.264 0.000 1.144 134 I CB 1.415 39.513 38.000 0.163 0.000 1.314 134 I HN 0.342 nan 8.210 nan 0.000 0.445 135 Y N 5.330 125.805 120.300 0.292 0.000 2.350 135 Y HA 0.304 4.812 4.550 -0.070 0.000 0.338 135 Y C -0.500 175.595 175.900 0.326 0.000 0.961 135 Y CA -0.740 57.535 58.100 0.291 0.000 1.100 135 Y CB 1.264 39.906 38.460 0.303 0.000 1.179 135 Y HN 0.478 nan 8.280 nan 0.000 0.454 136 D N 6.377 126.715 120.400 -0.104 0.000 2.316 136 D HA 0.120 4.718 4.640 -0.070 0.000 0.245 136 D C 0.534 176.639 176.300 -0.326 0.000 1.171 136 D CA 0.221 54.167 54.000 -0.091 0.000 0.856 136 D CB 1.236 42.012 40.800 -0.039 0.000 1.090 136 D HN 0.893 nan 8.370 nan 0.000 0.476 137 L N 3.635 124.734 121.223 -0.207 0.000 2.240 137 L HA -0.075 4.223 4.340 -0.070 0.000 0.211 137 L C 1.739 178.507 176.870 -0.171 0.000 1.106 137 L CA 0.384 55.186 54.840 -0.063 0.000 0.793 137 L CB -0.159 41.846 42.059 -0.089 0.000 0.927 137 L HN 0.320 nan 8.230 nan 0.000 0.446 138 N N 0.463 119.010 118.700 -0.255 0.000 2.109 138 N HA -0.124 4.573 4.740 -0.070 0.000 0.188 138 N C 1.609 177.020 175.510 -0.166 0.000 1.034 138 N CA 1.132 54.063 53.050 -0.198 0.000 0.846 138 N CB 0.015 38.382 38.487 -0.201 0.000 1.010 138 N HN 0.139 nan 8.380 nan 0.000 0.425 139 K N 0.281 120.569 120.400 -0.186 0.000 2.439 139 K HA 0.156 4.434 4.320 -0.070 0.000 0.197 139 K C -0.252 176.237 176.600 -0.186 0.000 1.041 139 K CA 0.130 56.324 56.287 -0.154 0.000 0.970 139 K CB 0.288 32.711 32.500 -0.127 0.000 0.773 139 K HN 0.052 nan 8.250 nan 0.000 0.479 140 R N 1.432 121.775 120.500 -0.260 0.000 3.267 140 R HA -0.164 4.133 4.340 -0.070 0.000 0.254 140 R C -0.999 175.086 176.300 -0.358 0.000 0.993 140 R CA 0.933 56.890 56.100 -0.237 0.000 0.670 140 R CB -1.990 28.275 30.300 -0.059 0.000 1.125 140 R HN 0.631 nan 8.270 nan 0.000 0.434 141 Q N -1.168 118.189 119.800 -0.738 0.000 2.527 141 Q HA 0.445 4.743 4.340 -0.070 0.000 0.280 141 Q C -0.746 175.006 176.000 -0.413 0.000 0.977 141 Q CA -1.109 54.452 55.803 -0.404 0.000 0.837 141 Q CB 1.224 29.867 28.738 -0.159 0.000 1.454 141 Q HN 0.118 nan 8.270 nan 0.000 0.387 142 L N 1.928 123.133 121.223 -0.030 0.000 2.456 142 L HA 0.273 4.571 4.340 -0.070 0.000 0.272 142 L C 0.016 176.929 176.870 0.072 0.000 1.189 142 L CA -0.252 54.670 54.840 0.137 0.000 0.846 142 L CB 0.339 42.551 42.059 0.256 0.000 1.111 142 L HN 0.556 nan 8.230 nan 0.000 0.475 143 I N 2.028 122.659 120.570 0.101 0.000 2.352 143 I HA 0.025 4.152 4.170 -0.070 0.000 0.290 143 I C 1.206 177.355 176.117 0.053 0.000 1.036 143 I CA 0.106 61.443 61.300 0.062 0.000 1.336 143 I CB 1.354 39.387 38.000 0.056 0.000 1.407 143 I HN 0.715 nan 8.210 nan 0.000 0.497 144 T N 1.801 116.372 114.554 0.028 0.000 3.023 144 T HA 0.127 4.435 4.350 -0.070 0.000 0.253 144 T C 0.423 175.119 174.700 -0.007 0.000 1.038 144 T CA -0.299 61.811 62.100 0.017 0.000 0.962 144 T CB 0.076 68.954 68.868 0.015 0.000 1.018 144 T HN 0.648 nan 8.240 nan 0.000 0.521 145 E N 1.324 121.516 120.200 -0.013 0.000 2.171 145 E HA 0.343 4.651 4.350 -0.070 0.000 0.271 145 E C -0.833 175.740 176.600 -0.045 0.000 0.916 145 E CA -0.685 55.698 56.400 -0.029 0.000 0.774 145 E CB 1.038 30.725 29.700 -0.022 0.000 1.128 145 E HN 0.058 nan 8.360 nan 0.000 0.403 146 E N 1.274 121.436 120.200 -0.065 0.000 2.442 146 E HA -0.164 4.144 4.350 -0.070 0.000 0.256 146 E C -0.666 175.867 176.600 -0.112 0.000 1.095 146 E CA 0.515 56.863 56.400 -0.087 0.000 0.747 146 E CB -1.227 28.431 29.700 -0.070 0.000 1.310 146 E HN 0.653 nan 8.360 nan 0.000 0.396 147 R N -0.313 120.114 120.500 -0.122 0.000 2.679 147 R HA 0.408 4.705 4.340 -0.070 0.000 0.269 147 R C 1.180 177.328 176.300 -0.254 0.000 1.076 147 R CA -0.502 55.512 56.100 -0.143 0.000 1.160 147 R CB 0.542 30.786 30.300 -0.093 0.000 1.054 147 R HN 0.083 nan 8.270 nan 0.000 0.507 148 I N 3.897 124.272 120.570 -0.324 0.000 2.648 148 I HA 0.028 4.156 4.170 -0.070 0.000 0.284 148 I C -1.531 174.328 176.117 -0.431 0.000 1.153 148 I CA -1.356 59.604 61.300 -0.567 0.000 1.426 148 I CB 0.398 38.053 38.000 -0.575 0.000 1.381 148 I HN 0.371 nan 8.210 nan 0.000 0.571 149 P HA 0.136 nan 4.420 nan 0.000 0.274 149 P C -0.471 176.668 177.300 -0.269 0.000 1.246 149 P CA -0.372 62.415 63.100 -0.523 0.000 0.795 149 P CB 0.263 31.294 31.700 -1.115 0.000 1.006 150 N N 0.887 119.493 118.700 -0.157 0.000 2.381 150 N HA -0.012 4.686 4.740 -0.070 0.000 0.241 150 N C 0.750 176.350 175.510 0.151 0.000 1.279 150 N CA 0.028 53.054 53.050 -0.040 0.000 0.896 150 N CB -0.839 37.637 38.487 -0.018 0.000 1.118 150 N HN 0.567 nan 8.380 nan 0.000 0.438 151 N N -1.163 117.611 118.700 0.124 0.000 2.776 151 N HA -0.130 4.568 4.740 -0.070 0.000 0.250 151 N C -0.557 175.153 175.510 0.333 0.000 1.112 151 N CA 1.192 54.357 53.050 0.192 0.000 0.733 151 N CB -1.802 36.803 38.487 0.197 0.000 1.097 151 N HN 0.811 nan 8.380 nan 0.000 0.558 152 T N 0.728 115.486 114.554 0.340 0.000 2.901 152 T HA 0.098 4.406 4.350 -0.070 0.000 0.301 152 T C 1.708 176.609 174.700 0.334 0.000 1.012 152 T CA 0.159 62.497 62.100 0.397 0.000 1.135 152 T CB 1.099 70.133 68.868 0.277 0.000 0.936 152 T HN 0.168 nan 8.240 nan 0.000 0.539 153 Q N 1.724 121.702 119.800 0.296 0.000 2.250 153 Q HA 0.157 4.455 4.340 -0.070 0.000 0.200 153 Q C 0.087 176.271 176.000 0.306 0.000 0.941 153 Q CA 0.390 56.365 55.803 0.288 0.000 0.872 153 Q CB 0.767 29.616 28.738 0.186 0.000 0.965 153 Q HN 0.700 nan 8.270 nan 0.000 0.480 154 W N 0.052 121.342 121.300 -0.017 0.000 3.953 154 W HA 0.400 5.019 4.660 -0.069 0.000 0.286 154 W C -2.387 174.051 176.519 -0.135 0.000 1.256 154 W CA -0.547 56.728 57.345 -0.116 0.000 1.244 154 W CB 1.092 30.417 29.460 -0.226 0.000 1.262 154 W HN -0.384 nan 8.180 nan 0.000 0.522 155 V N 4.045 123.261 119.914 -1.163 0.000 2.638 155 V HA 0.589 4.667 4.120 -0.070 0.000 0.306 155 V C -0.192 175.280 176.094 -1.036 0.000 1.052 155 V CA -0.541 61.201 62.300 -0.930 0.000 0.885 155 V CB 1.756 32.895 31.823 -1.140 0.000 0.999 155 V HN 0.471 nan 8.190 nan 0.000 0.424 156 T N 3.435 117.724 114.554 -0.442 0.000 2.886 156 T HA 0.561 4.869 4.350 -0.070 0.000 0.292 156 T C -1.119 173.582 174.700 0.003 0.000 1.012 156 T CA -0.340 61.699 62.100 -0.102 0.000 0.982 156 T CB 0.828 69.926 68.868 0.383 0.000 1.018 156 T HN 0.489 nan 8.240 nan 0.000 0.451 157 W N 3.514 124.861 121.300 0.079 0.000 2.170 157 W HA 0.410 5.029 4.660 -0.068 0.000 0.336 157 W C 1.254 177.621 176.519 -0.253 0.000 1.283 157 W CA -0.566 56.767 57.345 -0.019 0.000 1.224 157 W CB 0.542 29.990 29.460 -0.019 0.000 1.132 157 W HN 0.822 nan 8.180 nan 0.000 0.571 158 S N 2.425 117.837 115.700 -0.479 0.000 2.572 158 S HA 0.003 4.431 4.470 -0.070 0.000 0.267 158 S C -1.698 172.665 174.600 -0.395 0.000 1.361 158 S CA -0.804 56.656 58.200 -1.233 0.000 1.009 158 S CB 0.316 62.781 63.200 -1.226 0.000 0.888 158 S HN 0.356 nan 8.310 nan 0.000 0.553 159 P HA 0.206 nan 4.420 nan 0.000 0.231 159 P C -0.258 177.004 177.300 -0.063 0.000 1.168 159 P CA 0.335 63.402 63.100 -0.055 0.000 0.779 159 P CB 0.134 31.847 31.700 0.021 0.000 0.844 160 V N -1.224 118.607 119.914 -0.139 0.000 2.876 160 V HA 0.682 4.760 4.120 -0.070 0.000 0.312 160 V C 0.761 176.758 176.094 -0.162 0.000 1.085 160 V CA 0.147 62.381 62.300 -0.110 0.000 0.945 160 V CB 1.087 32.856 31.823 -0.090 0.000 1.017 160 V HN 0.428 nan 8.190 nan 0.000 0.428 161 G N 3.074 111.803 108.800 -0.118 0.000 2.509 161 G HA2 -0.197 3.721 3.960 -0.070 0.000 0.259 161 G HA3 -0.197 3.721 3.960 -0.070 0.000 0.259 161 G C 0.144 174.982 174.900 -0.103 0.000 1.169 161 G CA 0.557 45.558 45.100 -0.165 0.000 0.953 161 G HN 1.793 nan 8.290 nan 0.000 0.563 162 H N -0.398 118.684 119.070 0.021 0.000 3.043 162 H HA 0.336 4.849 4.556 -0.070 0.000 0.244 162 H C 0.296 175.794 175.328 0.282 0.000 1.199 162 H CA -0.004 56.125 56.048 0.135 0.000 0.956 162 H CB -0.250 29.623 29.762 0.186 0.000 2.305 162 H HN 0.567 nan 8.280 nan 0.000 0.665 163 K N 1.705 122.124 120.400 0.032 0.000 2.319 163 K HA 0.392 4.670 4.320 -0.070 0.000 0.265 163 K C -0.287 176.415 176.600 0.169 0.000 1.000 163 K CA -0.133 56.191 56.287 0.062 0.000 0.943 163 K CB 1.560 33.967 32.500 -0.155 0.000 0.950 163 K HN 0.106 nan 8.250 nan 0.000 0.485 164 L N 0.927 122.268 121.223 0.197 0.000 2.354 164 L HA 0.592 4.890 4.340 -0.070 0.000 0.269 164 L C -0.795 176.303 176.870 0.381 0.000 1.005 164 L CA -0.858 54.063 54.840 0.135 0.000 0.819 164 L CB 2.109 44.114 42.059 -0.090 0.000 1.311 164 L HN 0.741 nan 8.230 nan 0.000 0.423 165 A N 2.160 125.206 122.820 0.377 0.000 2.371 165 A HA 0.818 5.096 4.320 -0.070 0.000 0.311 165 A C -1.599 176.081 177.584 0.161 0.000 1.068 165 A CA -0.377 51.793 52.037 0.223 0.000 0.744 165 A CB 1.281 20.312 19.000 0.052 0.000 1.239 165 A HN 0.656 nan 8.150 nan 0.000 0.435 166 Y N -0.776 119.520 120.300 -0.006 0.000 2.615 166 Y HA 0.782 5.290 4.550 -0.070 0.000 0.341 166 Y C -1.193 174.760 175.900 0.089 0.000 1.089 166 Y CA -1.534 56.550 58.100 -0.027 0.000 1.049 166 Y CB 1.278 39.655 38.460 -0.138 0.000 1.296 166 Y HN 0.388 nan 8.280 nan 0.000 0.470 167 V N 2.085 122.151 119.914 0.253 0.000 2.448 167 V HA 0.341 4.418 4.120 -0.070 0.000 0.295 167 V C -1.484 174.831 176.094 0.370 0.000 1.025 167 V CA -0.568 61.839 62.300 0.179 0.000 0.859 167 V CB 1.279 33.128 31.823 0.043 0.000 0.988 167 V HN 0.859 nan 8.190 nan 0.000 0.431 168 W N 5.176 126.584 121.300 0.179 0.000 3.042 168 W HA 0.460 5.077 4.660 -0.070 0.000 0.337 168 W C 0.353 176.936 176.519 0.105 0.000 1.086 168 W CA -0.771 56.668 57.345 0.157 0.000 1.236 168 W CB 1.210 30.760 29.460 0.150 0.000 1.381 168 W HN 0.781 nan 8.180 nan 0.000 0.472 169 N N 4.971 123.254 118.700 -0.695 0.000 2.725 169 N HA -0.333 4.365 4.740 -0.070 0.000 0.249 169 N C -0.004 175.308 175.510 -0.330 0.000 1.103 169 N CA 1.090 53.743 53.050 -0.660 0.000 0.707 169 N CB -0.809 37.024 38.487 -1.090 0.000 1.043 169 N HN 0.725 nan 8.380 nan 0.000 0.553 170 N N -1.217 117.363 118.700 -0.201 0.000 2.925 170 N HA -0.131 4.567 4.740 -0.070 0.000 0.244 170 N C -1.530 173.873 175.510 -0.177 0.000 1.000 170 N CA 1.528 54.482 53.050 -0.160 0.000 0.895 170 N CB -0.613 37.741 38.487 -0.221 0.000 1.119 170 N HN 0.502 nan 8.380 nan 0.000 0.569 171 D N -0.008 120.282 120.400 -0.183 0.000 2.340 171 D HA 0.513 5.110 4.640 -0.070 0.000 0.240 171 D C 0.498 176.562 176.300 -0.393 0.000 1.001 171 D CA -0.376 53.429 54.000 -0.326 0.000 0.888 171 D CB 1.369 41.915 40.800 -0.424 0.000 1.310 171 D HN 0.022 nan 8.370 nan 0.000 0.474 172 I N 1.483 121.678 120.570 -0.626 0.000 2.385 172 I HA 0.284 4.412 4.170 -0.070 0.000 0.294 172 I C -0.748 174.836 176.117 -0.890 0.000 0.988 172 I CA -0.599 60.333 61.300 -0.613 0.000 1.265 172 I CB 0.681 38.282 38.000 -0.665 0.000 1.388 172 I HN 0.152 nan 8.210 nan 0.000 0.480 173 Y N 4.122 124.103 120.300 -0.532 0.000 2.477 173 Y HA 0.578 5.086 4.550 -0.071 0.000 0.347 173 Y C -0.356 175.295 175.900 -0.416 0.000 0.981 173 Y CA -0.916 56.846 58.100 -0.563 0.000 1.033 173 Y CB 2.168 40.004 38.460 -1.041 0.000 1.245 173 Y HN 0.129 nan 8.280 nan 0.000 0.455 174 V N 3.595 123.513 119.914 0.007 0.000 2.540 174 V HA 0.429 4.507 4.120 -0.070 0.000 0.302 174 V C -0.657 175.609 176.094 0.287 0.000 1.035 174 V CA -1.357 61.034 62.300 0.151 0.000 0.873 174 V CB 1.789 33.700 31.823 0.147 0.000 0.992 174 V HN 0.618 nan 8.190 nan 0.000 0.428 175 K N 4.552 125.122 120.400 0.283 0.000 2.339 175 K HA 0.473 4.751 4.320 -0.070 0.000 0.264 175 K C 0.225 176.974 176.600 0.250 0.000 0.986 175 K CA -0.719 55.719 56.287 0.252 0.000 0.866 175 K CB 1.911 34.515 32.500 0.174 0.000 1.103 175 K HN 0.422 nan 8.250 nan 0.000 0.441 176 I N 1.150 121.885 120.570 0.275 0.000 2.406 176 I HA -0.070 4.057 4.170 -0.070 0.000 0.249 176 I C 0.555 176.789 176.117 0.195 0.000 1.122 176 I CA 1.433 62.860 61.300 0.212 0.000 1.431 176 I CB -0.223 37.912 38.000 0.225 0.000 1.087 176 I HN 0.525 nan 8.210 nan 0.000 0.424 177 E N 0.491 120.797 120.200 0.177 0.000 2.248 177 E HA 0.273 4.580 4.350 -0.070 0.000 0.267 177 E C -1.951 174.657 176.600 0.014 0.000 0.877 177 E CA -1.816 54.666 56.400 0.136 0.000 0.759 177 E CB 1.999 31.770 29.700 0.118 0.000 1.182 177 E HN -0.089 nan 8.360 nan 0.000 0.418 178 P HA -0.111 nan 4.420 nan 0.000 0.223 178 P C 0.711 177.935 177.300 -0.127 0.000 1.151 178 P CA 0.998 63.982 63.100 -0.193 0.000 0.787 178 P CB 0.212 31.630 31.700 -0.470 0.000 0.788 179 N N -1.085 117.558 118.700 -0.095 0.000 2.268 179 N HA 0.042 4.740 4.740 -0.070 0.000 0.204 179 N C -0.114 175.380 175.510 -0.027 0.000 1.124 179 N CA 0.176 53.200 53.050 -0.043 0.000 0.838 179 N CB -0.321 38.157 38.487 -0.015 0.000 0.994 179 N HN 0.028 nan 8.380 nan 0.000 0.489 180 L N 0.724 121.934 121.223 -0.021 0.000 2.319 180 L HA 0.658 4.955 4.340 -0.070 0.000 0.267 180 L C -2.344 174.497 176.870 -0.049 0.000 1.011 180 L CA -2.464 52.364 54.840 -0.020 0.000 0.818 180 L CB 1.677 43.745 42.059 0.015 0.000 1.316 180 L HN -0.119 nan 8.230 nan 0.000 0.432 181 P HA 0.159 nan 4.420 nan 0.000 0.271 181 P C -0.769 176.416 177.300 -0.193 0.000 1.216 181 P CA -0.333 62.688 63.100 -0.132 0.000 0.776 181 P CB 0.509 32.119 31.700 -0.150 0.000 0.881 182 S N 2.464 118.096 115.700 -0.113 0.000 2.592 182 S HA 0.310 4.737 4.470 -0.070 0.000 0.271 182 S C -0.706 173.817 174.600 -0.128 0.000 1.326 182 S CA -0.323 57.853 58.200 -0.039 0.000 1.024 182 S CB -0.025 63.233 63.200 0.097 0.000 0.921 182 S HN 0.253 nan 8.310 nan 0.000 0.527 183 Y N 0.881 121.237 120.300 0.094 0.000 2.327 183 Y HA 0.415 4.923 4.550 -0.071 0.000 0.336 183 Y C 0.912 176.826 175.900 0.024 0.000 1.035 183 Y CA -0.662 57.486 58.100 0.079 0.000 1.165 183 Y CB 0.892 39.389 38.460 0.061 0.000 1.181 183 Y HN 0.694 nan 8.280 nan 0.000 0.494 184 R N 3.639 124.215 120.500 0.126 0.000 2.298 184 R HA 0.244 4.541 4.340 -0.070 0.000 0.310 184 R C 0.090 176.282 176.300 -0.180 0.000 1.068 184 R CA -0.095 55.844 56.100 -0.268 0.000 0.957 184 R CB 0.334 30.373 30.300 -0.434 0.000 1.003 184 R HN 0.761 nan 8.270 nan 0.000 0.454 185 I N 2.140 122.468 120.570 -0.403 0.000 2.810 185 I HA -0.000 4.128 4.170 -0.070 0.000 0.262 185 I C 1.007 177.008 176.117 -0.194 0.000 1.131 185 I CA 0.876 62.040 61.300 -0.226 0.000 1.453 185 I CB -0.555 37.241 38.000 -0.340 0.000 1.161 185 I HN 0.658 nan 8.210 nan 0.000 0.444 186 T N -3.597 110.699 114.554 -0.430 0.000 2.912 186 T HA 0.375 4.683 4.350 -0.070 0.000 0.288 186 T C -0.450 173.997 174.700 -0.423 0.000 1.030 186 T CA -0.497 61.436 62.100 -0.279 0.000 1.020 186 T CB 1.992 70.641 68.868 -0.364 0.000 1.056 186 T HN 0.170 nan 8.240 nan 0.000 0.480 187 W N 0.255 121.449 121.300 -0.176 0.000 2.714 187 W HA 0.229 4.847 4.660 -0.070 0.000 0.353 187 W C 1.958 178.419 176.519 -0.096 0.000 0.999 187 W CA -0.063 57.215 57.345 -0.112 0.000 1.629 187 W CB 0.136 29.552 29.460 -0.072 0.000 1.106 187 W HN 0.914 nan 8.180 nan 0.000 0.545 188 T N -2.825 111.744 114.554 0.025 0.000 3.086 188 T HA 0.302 4.609 4.350 -0.070 0.000 0.250 188 T C 1.190 175.857 174.700 -0.055 0.000 1.074 188 T CA 0.156 62.256 62.100 0.001 0.000 0.988 188 T CB -0.123 68.744 68.868 -0.002 0.000 0.988 188 T HN -0.019 nan 8.240 nan 0.000 0.530 189 G N 1.172 109.905 108.800 -0.112 0.000 2.380 189 G HA2 0.396 4.314 3.960 -0.070 0.000 0.242 189 G HA3 0.396 4.314 3.960 -0.070 0.000 0.242 189 G C -0.658 174.152 174.900 -0.150 0.000 1.298 189 G CA -0.445 44.565 45.100 -0.150 0.000 0.878 189 G HN 0.461 nan 8.290 nan 0.000 0.542 190 K N 1.845 122.136 120.400 -0.182 0.000 2.619 190 K HA 0.139 4.417 4.320 -0.070 0.000 0.251 190 K C -0.346 176.112 176.600 -0.236 0.000 0.987 190 K CA -0.621 55.567 56.287 -0.165 0.000 0.844 190 K CB 1.632 34.072 32.500 -0.099 0.000 1.237 190 K HN 0.682 nan 8.250 nan 0.000 0.447 191 E N 3.077 123.154 120.200 -0.204 0.000 2.652 191 E HA -0.162 4.146 4.350 -0.070 0.000 0.255 191 E C -0.543 175.965 176.600 -0.154 0.000 0.952 191 E CA 1.112 57.397 56.400 -0.192 0.000 0.947 191 E CB 0.224 29.849 29.700 -0.125 0.000 0.912 191 E HN 0.624 nan 8.360 nan 0.000 0.489 192 D N 2.279 122.574 120.400 -0.175 0.000 2.946 192 D HA -0.227 4.371 4.640 -0.070 0.000 0.202 192 D C 0.238 176.552 176.300 0.023 0.000 1.068 192 D CA 1.661 55.667 54.000 0.011 0.000 1.011 192 D CB -1.022 39.810 40.800 0.053 0.000 1.105 192 D HN 0.551 nan 8.370 nan 0.000 0.425 193 I N -1.228 119.249 120.570 -0.156 0.000 3.814 193 I HA 0.099 4.226 4.170 -0.070 0.000 0.264 193 I C 0.094 176.221 176.117 0.016 0.000 1.145 193 I CA -0.103 61.198 61.300 0.001 0.000 1.375 193 I CB 0.821 38.817 38.000 -0.008 0.000 1.638 193 I HN -0.177 nan 8.210 nan 0.000 0.432 194 I N 1.492 121.976 120.570 -0.144 0.000 2.389 194 I HA 0.291 4.418 4.170 -0.070 0.000 0.288 194 I C -1.434 174.568 176.117 -0.192 0.000 0.999 194 I CA -0.555 60.724 61.300 -0.035 0.000 1.129 194 I CB 0.759 38.750 38.000 -0.015 0.000 1.288 194 I HN 0.035 nan 8.210 nan 0.000 0.444 195 Y N 4.585 124.947 120.300 0.104 0.000 2.326 195 Y HA 0.412 4.919 4.550 -0.071 0.000 0.331 195 Y C 0.321 176.245 175.900 0.040 0.000 0.962 195 Y CA -0.815 57.345 58.100 0.101 0.000 1.167 195 Y CB 1.199 39.809 38.460 0.249 0.000 1.148 195 Y HN 0.408 nan 8.280 nan 0.000 0.463 196 N N 2.281 121.012 118.700 0.052 0.000 2.444 196 N HA 0.364 5.062 4.740 -0.070 0.000 0.262 196 N C 0.808 176.236 175.510 -0.136 0.000 0.974 196 N CA 0.435 53.442 53.050 -0.070 0.000 0.933 196 N CB 1.813 40.157 38.487 -0.239 0.000 1.137 196 N HN 1.000 nan 8.380 nan 0.000 0.498 197 G N 1.615 110.363 108.800 -0.088 0.000 2.176 197 G HA2 -0.250 3.668 3.960 -0.070 0.000 0.253 197 G HA3 -0.250 3.668 3.960 -0.070 0.000 0.253 197 G C 0.090 174.848 174.900 -0.238 0.000 0.979 197 G CA 0.642 45.627 45.100 -0.192 0.000 0.641 197 G HN 0.647 nan 8.290 nan 0.000 0.530 198 I N -1.862 118.644 120.570 -0.108 0.000 2.969 198 I HA 0.832 4.960 4.170 -0.070 0.000 0.307 198 I C 0.274 176.475 176.117 0.139 0.000 1.149 198 I CA -0.710 60.467 61.300 -0.204 0.000 1.008 198 I CB 2.001 39.694 38.000 -0.510 0.000 1.232 198 I HN 0.174 nan 8.210 nan 0.000 0.435 199 T N -0.667 113.928 114.554 0.068 0.000 2.918 199 T HA 0.411 4.719 4.350 -0.070 0.000 0.283 199 T C -0.225 174.297 174.700 -0.297 0.000 1.001 199 T CA -0.670 61.351 62.100 -0.132 0.000 1.041 199 T CB 1.298 70.088 68.868 -0.131 0.000 1.028 199 T HN 0.779 nan 8.240 nan 0.000 0.511 200 D N 0.190 120.143 120.400 -0.744 0.000 2.447 200 D HA 0.021 4.618 4.640 -0.070 0.000 0.265 200 D C 1.005 177.186 176.300 -0.198 0.000 1.250 200 D CA -1.076 52.527 54.000 -0.661 0.000 1.046 200 D CB 0.145 40.504 40.800 -0.734 0.000 1.095 200 D HN 0.730 nan 8.370 nan 0.000 0.555 201 W N 0.252 121.458 121.300 -0.157 0.000 2.317 201 W HA -0.240 4.378 4.660 -0.070 0.000 0.318 201 W C 2.123 178.501 176.519 -0.235 0.000 1.227 201 W CA 2.442 59.687 57.345 -0.167 0.000 1.269 201 W CB -0.399 28.901 29.460 -0.266 0.000 1.155 201 W HN 0.199 nan 8.180 nan 0.000 0.484 202 V N -0.382 119.512 119.914 -0.033 0.000 2.719 202 V HA -0.223 3.855 4.120 -0.070 0.000 0.252 202 V C 1.671 177.495 176.094 -0.450 0.000 1.065 202 V CA 1.696 63.868 62.300 -0.213 0.000 1.086 202 V CB -0.638 31.084 31.823 -0.168 0.000 0.700 202 V HN 0.303 nan 8.190 nan 0.000 0.467 203 Y N 0.582 120.566 120.300 -0.527 0.000 2.243 203 Y HA -0.117 4.390 4.550 -0.071 0.000 0.293 203 Y C 2.576 178.151 175.900 -0.542 0.000 1.124 203 Y CA 2.034 59.715 58.100 -0.699 0.000 1.159 203 Y CB -0.010 37.788 38.460 -1.105 0.000 1.008 203 Y HN 0.327 nan 8.280 nan 0.000 0.527 204 E N 0.403 120.447 120.200 -0.261 0.000 2.058 204 E HA -0.325 3.983 4.350 -0.070 0.000 0.194 204 E C 1.959 178.453 176.600 -0.177 0.000 0.997 204 E CA 1.780 58.091 56.400 -0.147 0.000 0.801 204 E CB 0.011 29.654 29.700 -0.094 0.000 0.746 204 E HN 0.443 nan 8.360 nan 0.000 0.450 205 E N -0.061 119.860 120.200 -0.465 0.000 2.086 205 E HA -0.122 4.186 4.350 -0.070 0.000 0.190 205 E C 1.558 178.022 176.600 -0.227 0.000 0.975 205 E CA 1.286 57.422 56.400 -0.441 0.000 0.813 205 E CB 0.237 29.357 29.700 -0.968 0.000 0.768 205 E HN 0.190 nan 8.360 nan 0.000 0.457 206 E N -0.832 119.202 120.200 -0.276 0.000 2.447 206 E HA 0.119 4.427 4.350 -0.070 0.000 0.204 206 E C 1.416 177.897 176.600 -0.199 0.000 0.977 206 E CA 0.284 56.577 56.400 -0.177 0.000 0.950 206 E CB 1.291 30.860 29.700 -0.218 0.000 0.975 206 E HN 0.187 nan 8.360 nan 0.000 0.496 207 V N -0.356 119.391 119.914 -0.278 0.000 3.001 207 V HA 0.046 4.124 4.120 -0.070 0.000 0.228 207 V C 1.268 177.429 176.094 0.112 0.000 1.204 207 V CA 0.514 62.670 62.300 -0.240 0.000 1.247 207 V CB -0.103 31.337 31.823 -0.639 0.000 1.093 207 V HN 0.012 nan 8.190 nan 0.000 0.504 208 F N 0.924 120.893 119.950 0.032 0.000 2.746 208 F HA 0.312 4.796 4.527 -0.070 0.000 0.297 208 F C 1.533 177.305 175.800 -0.047 0.000 1.113 208 F CA -0.151 57.879 58.000 0.050 0.000 1.367 208 F CB -0.968 38.094 39.000 0.103 0.000 1.111 208 F HN 0.154 nan 8.300 nan 0.000 0.590 209 S N 0.378 116.119 115.700 0.068 0.000 3.614 209 S HA 0.055 4.483 4.470 -0.070 0.000 0.360 209 S C 0.164 174.420 174.600 -0.572 0.000 1.023 209 S CA 0.462 58.565 58.200 -0.161 0.000 1.114 209 S CB -1.974 61.180 63.200 -0.078 0.000 0.907 209 S HN 0.733 nan 8.310 nan 0.000 0.470 210 A N -0.485 122.189 122.820 -0.244 0.000 2.599 210 A HA 0.664 4.942 4.320 -0.070 0.000 0.294 210 A C -0.219 177.377 177.584 0.019 0.000 1.055 210 A CA -0.539 51.382 52.037 -0.194 0.000 0.683 210 A CB 0.267 19.180 19.000 -0.145 0.000 1.278 210 A HN 0.316 nan 8.150 nan 0.000 0.412 211 Y N 1.512 121.706 120.300 -0.176 0.000 2.337 211 Y HA 0.148 4.655 4.550 -0.071 0.000 0.293 211 Y C 1.596 177.259 175.900 -0.394 0.000 1.123 211 Y CA 1.299 59.284 58.100 -0.192 0.000 1.201 211 Y CB -0.013 38.352 38.460 -0.158 0.000 1.011 211 Y HN 0.668 nan 8.280 nan 0.000 0.545 212 S N 0.394 115.651 115.700 -0.738 0.000 2.549 212 S HA 0.484 4.911 4.470 -0.070 0.000 0.279 212 S C 0.095 174.285 174.600 -0.684 0.000 1.321 212 S CA 0.115 57.612 58.200 -1.172 0.000 1.054 212 S CB 0.358 62.561 63.200 -1.662 0.000 0.899 212 S HN 0.396 nan 8.310 nan 0.000 0.497 213 A N 5.754 128.168 122.820 -0.678 0.000 3.308 213 A HA 0.536 4.814 4.320 -0.070 0.000 0.275 213 A C -0.757 176.210 177.584 -1.027 0.000 0.950 213 A CA -0.458 51.130 52.037 -0.749 0.000 0.987 213 A CB -0.006 19.015 19.000 0.035 0.000 1.146 213 A HN 0.721 nan 8.150 nan 0.000 0.488 214 L N 0.845 121.324 121.223 -1.241 0.000 2.409 214 L HA 0.595 4.892 4.340 -0.070 0.000 0.272 214 L C -1.267 175.134 176.870 -0.783 0.000 0.980 214 L CA -0.444 53.968 54.840 -0.713 0.000 0.826 214 L CB 1.887 43.718 42.059 -0.379 0.000 1.268 214 L HN 0.535 nan 8.230 nan 0.000 0.407 215 W N 2.888 124.205 121.300 0.028 0.000 2.631 215 W HA 0.224 4.842 4.660 -0.070 0.000 0.321 215 W C -1.016 175.686 176.519 0.305 0.000 1.004 215 W CA -1.111 56.366 57.345 0.219 0.000 1.291 215 W CB 1.221 30.867 29.460 0.311 0.000 1.300 215 W HN 0.485 nan 8.180 nan 0.000 0.422 216 W N 2.693 124.194 121.300 0.334 0.000 2.257 216 W HA 0.122 4.740 4.660 -0.069 0.000 0.337 216 W C 1.391 177.713 176.519 -0.329 0.000 1.321 216 W CA 0.557 57.955 57.345 0.088 0.000 1.267 216 W CB 0.565 30.059 29.460 0.056 0.000 1.187 216 W HN 0.184 nan 8.180 nan 0.000 0.565 217 S N 3.463 118.853 115.700 -0.517 0.000 2.589 217 S HA 0.123 4.550 4.470 -0.070 0.000 0.265 217 S C -1.480 172.867 174.600 -0.422 0.000 1.342 217 S CA -1.062 56.344 58.200 -1.323 0.000 1.005 217 S CB 0.823 63.307 63.200 -1.193 0.000 0.909 217 S HN 0.346 nan 8.310 nan 0.000 0.555 218 P HA -0.133 nan 4.420 nan 0.000 0.216 218 P C 1.052 178.322 177.300 -0.051 0.000 1.150 218 P CA 1.177 64.244 63.100 -0.055 0.000 0.843 218 P CB -0.118 31.592 31.700 0.016 0.000 0.787 219 N N -0.956 117.697 118.700 -0.079 0.000 2.270 219 N HA -0.068 4.630 4.740 -0.070 0.000 0.181 219 N C 1.507 176.956 175.510 -0.102 0.000 1.016 219 N CA 1.646 54.653 53.050 -0.071 0.000 0.870 219 N CB -0.486 37.959 38.487 -0.069 0.000 0.979 219 N HN 0.193 nan 8.380 nan 0.000 0.431 220 G N -1.018 107.731 108.800 -0.084 0.000 2.157 220 G HA2 -0.271 3.647 3.960 -0.070 0.000 0.248 220 G HA3 -0.271 3.647 3.960 -0.070 0.000 0.248 220 G C 1.054 175.990 174.900 0.060 0.000 0.979 220 G CA 0.987 46.051 45.100 -0.060 0.000 0.650 220 G HN 0.368 nan 8.290 nan 0.000 0.529 221 T N -0.184 114.337 114.554 -0.054 0.000 2.770 221 T HA 0.270 4.578 4.350 -0.070 0.000 0.263 221 T C 0.728 175.287 174.700 -0.235 0.000 1.039 221 T CA 1.163 63.131 62.100 -0.220 0.000 1.142 221 T CB -0.080 68.517 68.868 -0.453 0.000 0.868 221 T HN 0.272 nan 8.240 nan 0.000 0.435 222 F N 0.471 120.450 119.950 0.047 0.000 2.450 222 F HA 0.617 5.101 4.527 -0.071 0.000 0.332 222 F C -0.272 175.584 175.800 0.093 0.000 1.093 222 F CA -1.490 56.571 58.000 0.102 0.000 1.003 222 F CB 1.169 40.299 39.000 0.217 0.000 1.151 222 F HN -0.095 nan 8.300 nan 0.000 0.474 223 L N 3.041 124.406 121.223 0.237 0.000 2.319 223 L HA 0.792 5.090 4.340 -0.070 0.000 0.281 223 L C -0.502 176.476 176.870 0.180 0.000 1.005 223 L CA -0.427 54.404 54.840 -0.015 0.000 0.828 223 L CB 0.814 42.590 42.059 -0.471 0.000 1.227 223 L HN 0.682 nan 8.230 nan 0.000 0.415 224 A N 4.882 127.883 122.820 0.302 0.000 2.310 224 A HA 0.709 4.987 4.320 -0.070 0.000 0.299 224 A C -1.267 176.411 177.584 0.158 0.000 1.147 224 A CA -0.192 51.895 52.037 0.083 0.000 0.818 224 A CB 0.353 19.404 19.000 0.085 0.000 1.096 224 A HN 0.848 nan 8.150 nan 0.000 0.495 225 Y N -1.549 118.585 120.300 -0.277 0.000 2.638 225 Y HA 0.766 5.274 4.550 -0.071 0.000 0.335 225 Y C -0.305 175.455 175.900 -0.233 0.000 1.155 225 Y CA -0.944 57.062 58.100 -0.157 0.000 1.046 225 Y CB 0.940 39.272 38.460 -0.213 0.000 1.303 225 Y HN 0.888 nan 8.280 nan 0.000 0.460 226 A N 1.793 124.687 122.820 0.124 0.000 2.320 226 A HA 0.666 4.944 4.320 -0.070 0.000 0.334 226 A C -1.230 176.263 177.584 -0.152 0.000 1.147 226 A CA -0.867 51.134 52.037 -0.061 0.000 0.820 226 A CB 1.758 20.765 19.000 0.012 0.000 1.218 226 A HN 0.796 nan 8.150 nan 0.000 0.482 227 Q N 1.079 120.708 119.800 -0.285 0.000 2.330 227 Q HA 0.588 4.885 4.340 -0.070 0.000 0.269 227 Q C -1.991 173.707 176.000 -0.503 0.000 1.022 227 Q CA -0.386 55.299 55.803 -0.197 0.000 0.796 227 Q CB 1.006 29.837 28.738 0.155 0.000 1.271 227 Q HN 0.593 nan 8.270 nan 0.000 0.450 228 F N 2.262 122.307 119.950 0.157 0.000 2.450 228 F HA 0.428 4.912 4.527 -0.071 0.000 0.332 228 F C 0.459 176.418 175.800 0.264 0.000 1.093 228 F CA -0.938 57.139 58.000 0.128 0.000 1.003 228 F CB 1.269 40.247 39.000 -0.037 0.000 1.151 228 F HN 0.427 nan 8.300 nan 0.000 0.474 229 N N 1.710 120.646 118.700 0.392 0.000 2.531 229 N HA 0.223 4.921 4.740 -0.070 0.000 0.268 229 N C -0.946 174.734 175.510 0.282 0.000 1.023 229 N CA -0.338 52.887 53.050 0.292 0.000 0.896 229 N CB 0.947 39.549 38.487 0.192 0.000 1.233 229 N HN 0.507 nan 8.380 nan 0.000 0.512 230 D N 1.373 121.960 120.400 0.312 0.000 2.388 230 D HA 0.132 4.729 4.640 -0.070 0.000 0.221 230 D C 1.216 177.622 176.300 0.178 0.000 1.133 230 D CA 0.170 54.327 54.000 0.262 0.000 0.831 230 D CB 0.501 41.515 40.800 0.357 0.000 0.962 230 D HN 0.473 nan 8.370 nan 0.000 0.502 231 T N 0.407 115.047 114.554 0.144 0.000 2.649 231 T HA -0.231 4.076 4.350 -0.070 0.000 0.268 231 T C 1.230 175.979 174.700 0.082 0.000 1.036 231 T CA 1.480 63.639 62.100 0.098 0.000 1.157 231 T CB -0.028 68.889 68.868 0.082 0.000 0.861 231 T HN 0.279 nan 8.240 nan 0.000 0.445 232 E N -0.114 120.136 120.200 0.083 0.000 2.548 232 E HA 0.218 4.526 4.350 -0.070 0.000 0.206 232 E C -0.635 176.007 176.600 0.070 0.000 1.005 232 E CA -0.235 56.205 56.400 0.066 0.000 0.951 232 E CB 0.863 30.595 29.700 0.054 0.000 1.035 232 E HN 0.152 nan 8.360 nan 0.000 0.470 233 V N 3.500 123.468 119.914 0.089 0.000 2.508 233 V HA 0.106 4.184 4.120 -0.070 0.000 0.281 233 V C -1.985 174.156 176.094 0.079 0.000 1.041 233 V CA -1.475 60.878 62.300 0.089 0.000 1.016 233 V CB 0.423 32.314 31.823 0.112 0.000 0.984 233 V HN 0.080 nan 8.190 nan 0.000 0.478 234 P HA 0.239 nan 4.420 nan 0.000 0.270 234 P C -0.808 176.524 177.300 0.053 0.000 1.223 234 P CA -0.250 62.882 63.100 0.052 0.000 0.785 234 P CB 0.507 32.235 31.700 0.047 0.000 0.923 235 L N 1.810 123.045 121.223 0.020 0.000 2.307 235 L HA 0.451 4.749 4.340 -0.070 0.000 0.284 235 L C 0.299 177.126 176.870 -0.071 0.000 1.023 235 L CA -0.938 53.899 54.840 -0.006 0.000 0.810 235 L CB 1.143 43.193 42.059 -0.014 0.000 1.231 235 L HN 0.290 nan 8.230 nan 0.000 0.423 236 I N 2.545 123.028 120.570 -0.146 0.000 2.519 236 I HA 0.223 4.350 4.170 -0.070 0.000 0.287 236 I C -0.292 175.696 176.117 -0.216 0.000 1.047 236 I CA 0.387 61.510 61.300 -0.296 0.000 1.381 236 I CB 0.774 38.357 38.000 -0.694 0.000 1.417 236 I HN 0.580 nan 8.210 nan 0.000 0.540 237 E N 7.035 127.124 120.200 -0.184 0.000 2.234 237 E HA 0.486 4.793 4.350 -0.070 0.000 0.266 237 E C -1.780 174.767 176.600 -0.087 0.000 0.877 237 E CA -0.566 55.727 56.400 -0.180 0.000 0.758 237 E CB 2.057 31.678 29.700 -0.132 0.000 1.170 237 E HN 0.557 nan 8.360 nan 0.000 0.415 238 Y N -1.615 118.605 120.300 -0.133 0.000 2.670 238 Y HA 0.588 5.096 4.550 -0.071 0.000 0.334 238 Y C -0.769 175.069 175.900 -0.103 0.000 1.185 238 Y CA -1.234 56.795 58.100 -0.118 0.000 1.053 238 Y CB 0.965 39.361 38.460 -0.106 0.000 1.298 238 Y HN 0.205 nan 8.280 nan 0.000 0.459 239 S N 1.520 117.243 115.700 0.040 0.000 2.554 239 S HA 0.535 4.962 4.470 -0.070 0.000 0.278 239 S C -1.581 172.886 174.600 -0.222 0.000 1.242 239 S CA -0.473 57.592 58.200 -0.225 0.000 1.051 239 S CB 0.371 63.300 63.200 -0.452 0.000 0.986 239 S HN 0.527 nan 8.310 nan 0.000 0.502 240 F N 3.160 122.884 119.950 -0.377 0.000 2.427 240 F HA 0.427 4.912 4.527 -0.071 0.000 0.348 240 F C -0.213 175.381 175.800 -0.343 0.000 1.125 240 F CA -0.816 57.040 58.000 -0.240 0.000 0.989 240 F CB 0.673 39.651 39.000 -0.037 0.000 1.165 240 F HN 0.660 nan 8.300 nan 0.000 0.442 241 Y N 2.844 122.928 120.300 -0.361 0.000 2.395 241 Y HA 0.077 4.585 4.550 -0.071 0.000 0.293 241 Y C 1.796 177.589 175.900 -0.178 0.000 1.123 241 Y CA 1.138 59.107 58.100 -0.219 0.000 1.227 241 Y CB -0.764 37.566 38.460 -0.216 0.000 1.012 241 Y HN 0.754 nan 8.280 nan 0.000 0.552 242 S N -0.502 115.036 115.700 -0.269 0.000 3.387 242 S HA -0.225 4.203 4.470 -0.070 0.000 0.633 242 S C -0.560 174.068 174.600 0.047 0.000 2.641 242 S CA 0.341 58.564 58.200 0.038 0.000 2.931 242 S CB -1.257 62.095 63.200 0.252 0.000 0.327 242 S HN 0.434 nan 8.310 nan 0.000 1.716 243 D N 1.673 122.132 120.400 0.098 0.000 2.382 243 D HA 0.216 4.813 4.640 -0.070 0.000 0.240 243 D C 1.301 177.631 176.300 0.051 0.000 1.146 243 D CA 0.227 54.268 54.000 0.068 0.000 0.897 243 D CB 0.324 41.169 40.800 0.076 0.000 1.197 243 D HN 0.576 nan 8.370 nan 0.000 0.432 244 E N 0.516 120.734 120.200 0.031 0.000 2.273 244 E HA -0.206 4.102 4.350 -0.070 0.000 0.198 244 E C 1.324 177.937 176.600 0.020 0.000 1.002 244 E CA 0.993 57.402 56.400 0.016 0.000 0.828 244 E CB 0.189 29.893 29.700 0.005 0.000 0.747 244 E HN 0.445 nan 8.360 nan 0.000 0.491 245 S N 0.119 115.838 115.700 0.033 0.000 2.481 245 S HA -0.115 4.313 4.470 -0.070 0.000 0.231 245 S C 0.900 175.528 174.600 0.048 0.000 0.996 245 S CA -0.052 58.170 58.200 0.036 0.000 0.942 245 S CB -0.120 63.105 63.200 0.040 0.000 0.768 245 S HN 0.187 nan 8.310 nan 0.000 0.520 246 L N 2.491 123.751 121.223 0.060 0.000 2.325 246 L HA 0.325 4.623 4.340 -0.070 0.000 0.284 246 L C 1.305 178.213 176.870 0.063 0.000 1.089 246 L CA 0.058 54.947 54.840 0.081 0.000 0.836 246 L CB 0.655 42.776 42.059 0.103 0.000 1.184 246 L HN 0.216 nan 8.230 nan 0.000 0.444 247 Q N 3.788 123.630 119.800 0.069 0.000 2.123 247 Q HA -0.057 4.241 4.340 -0.070 0.000 0.199 247 Q C -0.558 175.348 176.000 -0.158 0.000 0.966 247 Q CA 1.176 56.964 55.803 -0.025 0.000 0.845 247 Q CB 0.184 28.934 28.738 0.020 0.000 0.907 247 Q HN 0.672 nan 8.270 nan 0.000 0.439 248 Y N 0.754 121.070 120.300 0.027 0.000 2.341 248 Y HA 0.389 4.897 4.550 -0.071 0.000 0.338 248 Y C -2.045 173.869 175.900 0.023 0.000 0.965 248 Y CA -2.950 55.164 58.100 0.022 0.000 1.108 248 Y CB 1.293 39.758 38.460 0.009 0.000 1.180 248 Y HN 0.147 nan 8.280 nan 0.000 0.458 249 P HA 0.115 nan 4.420 nan 0.000 0.272 249 P C -0.839 176.482 177.300 0.035 0.000 1.230 249 P CA -0.684 62.446 63.100 0.050 0.000 0.788 249 P CB 0.841 32.505 31.700 -0.061 0.000 0.949 250 K N 0.591 120.997 120.400 0.010 0.000 2.156 250 K HA 0.332 4.610 4.320 -0.070 0.000 0.271 250 K C -0.627 175.937 176.600 -0.060 0.000 0.995 250 K CA -0.339 55.952 56.287 0.007 0.000 0.890 250 K CB 0.476 33.012 32.500 0.059 0.000 1.073 250 K HN 0.344 nan 8.250 nan 0.000 0.454 251 T N 3.134 117.638 114.554 -0.083 0.000 2.728 251 T HA 0.185 4.493 4.350 -0.070 0.000 0.296 251 T C -0.409 174.176 174.700 -0.192 0.000 0.940 251 T CA -0.578 61.436 62.100 -0.143 0.000 1.013 251 T CB 0.848 69.648 68.868 -0.113 0.000 0.912 251 T HN 0.240 nan 8.240 nan 0.000 0.484 252 V N 5.807 125.511 119.914 -0.350 0.000 2.465 252 V HA 0.408 4.486 4.120 -0.070 0.000 0.279 252 V C 0.416 176.261 176.094 -0.415 0.000 1.045 252 V CA -0.545 61.505 62.300 -0.416 0.000 0.938 252 V CB 0.899 32.301 31.823 -0.702 0.000 0.986 252 V HN 0.731 nan 8.190 nan 0.000 0.467 253 R N 3.702 124.080 120.500 -0.203 0.000 2.439 253 R HA 0.748 5.046 4.340 -0.070 0.000 0.310 253 R C -1.651 174.636 176.300 -0.022 0.000 0.955 253 R CA -0.631 55.391 56.100 -0.130 0.000 0.853 253 R CB 2.202 32.456 30.300 -0.077 0.000 1.171 253 R HN 0.490 nan 8.270 nan 0.000 0.449 254 V N 3.809 123.711 119.914 -0.020 0.000 2.531 254 V HA 0.344 4.421 4.120 -0.070 0.000 0.301 254 V C -2.368 173.764 176.094 0.064 0.000 1.034 254 V CA -2.536 59.806 62.300 0.069 0.000 0.865 254 V CB 2.149 33.964 31.823 -0.014 0.000 0.995 254 V HN 0.627 nan 8.190 nan 0.000 0.424 255 P HA 0.181 nan 4.420 nan 0.000 0.266 255 P C -1.316 176.068 177.300 0.139 0.000 1.215 255 P CA 0.277 63.462 63.100 0.142 0.000 0.763 255 P CB -0.085 31.733 31.700 0.196 0.000 0.806 256 Y N 5.938 126.208 120.300 -0.050 0.000 2.287 256 Y HA 0.333 4.841 4.550 -0.071 0.000 0.325 256 Y C -2.729 173.143 175.900 -0.047 0.000 1.139 256 Y CA -2.666 55.363 58.100 -0.119 0.000 1.167 256 Y CB 1.721 40.012 38.460 -0.281 0.000 1.158 256 Y HN 0.282 nan 8.280 nan 0.000 0.434 257 P HA 0.219 nan 4.420 nan 0.000 0.280 257 P C -0.869 176.456 177.300 0.040 0.000 1.300 257 P CA -0.067 63.049 63.100 0.026 0.000 0.785 257 P CB 1.123 32.823 31.700 0.000 0.000 0.874 258 K N 2.060 122.579 120.400 0.198 0.000 2.118 258 K HA 0.506 4.784 4.320 -0.070 0.000 0.240 258 K C 0.606 177.297 176.600 0.152 0.000 1.035 258 K CA -0.751 55.679 56.287 0.238 0.000 0.899 258 K CB 0.495 33.162 32.500 0.278 0.000 1.085 258 K HN 0.417 nan 8.250 nan 0.000 0.498 259 A N 0.544 123.476 122.820 0.187 0.000 2.524 259 A HA 0.372 4.650 4.320 -0.070 0.000 0.250 259 A C 1.126 178.739 177.584 0.049 0.000 1.078 259 A CA 0.747 52.880 52.037 0.159 0.000 0.761 259 A CB -0.990 18.193 19.000 0.305 0.000 1.012 259 A HN 0.876 nan 8.150 nan 0.000 0.500 260 G N 0.827 109.646 108.800 0.032 0.000 2.199 260 G HA2 0.123 4.040 3.960 -0.070 0.000 0.254 260 G HA3 0.123 4.040 3.960 -0.070 0.000 0.254 260 G C 0.628 175.535 174.900 0.010 0.000 0.982 260 G CA 0.583 45.677 45.100 -0.009 0.000 0.632 260 G HN 2.071 nan 8.290 nan 0.000 0.529 261 A N -0.369 122.472 122.820 0.036 0.000 2.240 261 A HA 0.787 5.065 4.320 -0.070 0.000 0.292 261 A C 0.809 178.416 177.584 0.038 0.000 1.121 261 A CA 0.246 52.307 52.037 0.040 0.000 0.851 261 A CB 0.742 19.780 19.000 0.063 0.000 1.167 261 A HN 1.148 nan 8.150 nan 0.000 0.503 262 V N 1.815 121.753 119.914 0.040 0.000 2.529 262 V HA 0.015 4.093 4.120 -0.070 0.000 0.292 262 V C 0.587 176.715 176.094 0.056 0.000 1.028 262 V CA 0.341 62.666 62.300 0.042 0.000 1.074 262 V CB -0.274 31.575 31.823 0.043 0.000 0.958 262 V HN 0.851 nan 8.190 nan 0.000 0.481 263 N N 5.669 124.404 118.700 0.057 0.000 2.482 263 N HA 0.458 5.156 4.740 -0.070 0.000 0.279 263 N C -2.498 173.081 175.510 0.115 0.000 1.182 263 N CA -1.402 51.699 53.050 0.086 0.000 0.969 263 N CB 1.432 39.976 38.487 0.095 0.000 1.201 263 N HN 0.451 nan 8.380 nan 0.000 0.523 264 P HA 0.028 nan 4.420 nan 0.000 0.269 264 P C -0.653 176.790 177.300 0.239 0.000 1.215 264 P CA -0.090 63.146 63.100 0.226 0.000 0.780 264 P CB 0.479 32.346 31.700 0.280 0.000 0.898 265 T N -1.619 113.065 114.554 0.217 0.000 2.952 265 T HA 0.580 4.887 4.350 -0.070 0.000 0.286 265 T C -0.294 174.552 174.700 0.244 0.000 1.024 265 T CA -0.859 61.338 62.100 0.163 0.000 1.029 265 T CB 1.489 70.415 68.868 0.097 0.000 1.094 265 T HN 0.311 nan 8.240 nan 0.000 0.515 266 V N 0.574 120.608 119.914 0.201 0.000 2.789 266 V HA 0.709 4.787 4.120 -0.070 0.000 0.311 266 V C -1.270 174.922 176.094 0.163 0.000 1.073 266 V CA -0.835 61.560 62.300 0.158 0.000 0.921 266 V CB 1.934 33.919 31.823 0.270 0.000 1.009 266 V HN 1.024 nan 8.190 nan 0.000 0.426 267 K N 4.499 124.941 120.400 0.070 0.000 2.350 267 K HA 0.622 4.900 4.320 -0.070 0.000 0.241 267 K C -1.848 174.732 176.600 -0.034 0.000 0.994 267 K CA -0.556 55.747 56.287 0.026 0.000 0.839 267 K CB 2.759 35.279 32.500 0.032 0.000 1.244 267 K HN 0.556 nan 8.250 nan 0.000 0.443 268 F N 1.582 121.257 119.950 -0.459 0.000 2.556 268 F HA 0.568 5.053 4.527 -0.071 0.000 0.314 268 F C -1.614 173.677 175.800 -0.848 0.000 1.106 268 F CA -0.662 57.064 58.000 -0.457 0.000 0.911 268 F CB 1.045 39.885 39.000 -0.266 0.000 1.190 268 F HN 0.394 nan 8.300 nan 0.000 0.448 269 F N 3.881 123.155 119.950 -1.127 0.000 2.613 269 F HA 0.710 5.195 4.527 -0.071 0.000 0.310 269 F C -1.105 174.138 175.800 -0.928 0.000 1.085 269 F CA -1.139 56.330 58.000 -0.886 0.000 0.945 269 F CB 2.175 40.555 39.000 -1.033 0.000 1.298 269 F HN 0.151 nan 8.300 nan 0.000 0.455 270 V N 2.783 122.509 119.914 -0.313 0.000 2.588 270 V HA 0.690 4.768 4.120 -0.070 0.000 0.304 270 V C -0.899 175.295 176.094 0.166 0.000 1.042 270 V CA -0.882 61.311 62.300 -0.178 0.000 0.877 270 V CB 1.834 33.324 31.823 -0.556 0.000 0.996 270 V HN 0.537 nan 8.190 nan 0.000 0.425 271 V N 2.617 122.692 119.914 0.268 0.000 2.555 271 V HA 0.495 4.572 4.120 -0.070 0.000 0.302 271 V C 0.000 176.318 176.094 0.373 0.000 1.038 271 V CA -0.868 61.611 62.300 0.299 0.000 0.887 271 V CB 1.914 33.849 31.823 0.188 0.000 0.991 271 V HN 0.839 nan 8.190 nan 0.000 0.434 272 N N 2.891 121.788 118.700 0.328 0.000 2.401 272 N HA 0.072 4.769 4.740 -0.070 0.000 0.255 272 N C 1.099 176.607 175.510 -0.003 0.000 1.110 272 N CA 0.335 53.441 53.050 0.092 0.000 0.949 272 N CB 1.579 40.106 38.487 0.067 0.000 1.110 272 N HN 0.935 nan 8.380 nan 0.000 0.490 273 T N -0.607 113.932 114.554 -0.025 0.000 3.169 273 T HA 0.110 4.418 4.350 -0.070 0.000 0.250 273 T C 0.294 174.952 174.700 -0.069 0.000 1.111 273 T CA 0.182 62.275 62.100 -0.012 0.000 1.010 273 T CB 0.122 69.085 68.868 0.157 0.000 0.984 273 T HN 0.224 nan 8.240 nan 0.000 0.537 274 D N 1.512 121.846 120.400 -0.110 0.000 2.369 274 D HA 0.122 4.720 4.640 -0.070 0.000 0.211 274 D C 1.103 177.352 176.300 -0.087 0.000 1.077 274 D CA 0.261 54.200 54.000 -0.101 0.000 0.842 274 D CB 0.497 41.224 40.800 -0.120 0.000 0.947 274 D HN 0.614 nan 8.370 nan 0.000 0.509 275 S N -0.358 115.290 115.700 -0.086 0.000 2.809 275 S HA 0.307 4.735 4.470 -0.070 0.000 0.248 275 S C 0.259 174.814 174.600 -0.075 0.000 1.071 275 S CA -0.581 57.587 58.200 -0.053 0.000 1.059 275 S CB -0.197 62.999 63.200 -0.007 0.000 0.923 275 S HN -0.045 nan 8.310 nan 0.000 0.516 276 L N 2.160 123.270 121.223 -0.189 0.000 2.395 276 L HA 0.608 4.906 4.340 -0.070 0.000 0.269 276 L C 0.505 177.282 176.870 -0.155 0.000 1.133 276 L CA -0.331 54.339 54.840 -0.284 0.000 0.812 276 L CB 1.471 43.088 42.059 -0.737 0.000 1.125 276 L HN 0.368 nan 8.230 nan 0.000 0.452 277 S N 0.101 115.820 115.700 0.031 0.000 2.503 277 S HA 0.302 4.730 4.470 -0.070 0.000 0.301 277 S C 0.842 175.635 174.600 0.321 0.000 1.087 277 S CA -0.613 57.687 58.200 0.166 0.000 1.042 277 S CB 1.759 65.021 63.200 0.103 0.000 1.043 277 S HN 0.635 nan 8.310 nan 0.000 0.489 278 S N 3.459 119.343 115.700 0.307 0.000 2.382 278 S HA -0.099 4.329 4.470 -0.070 0.000 0.228 278 S C 1.634 176.319 174.600 0.143 0.000 1.027 278 S CA 1.249 59.570 58.200 0.202 0.000 0.991 278 S CB -0.465 62.806 63.200 0.119 0.000 0.823 278 S HN 0.662 nan 8.310 nan 0.000 0.469 279 V N 1.500 121.483 119.914 0.116 0.000 2.825 279 V HA 0.107 4.185 4.120 -0.070 0.000 0.246 279 V C 0.276 176.409 176.094 0.064 0.000 1.068 279 V CA 0.994 63.340 62.300 0.077 0.000 1.088 279 V CB -0.091 31.765 31.823 0.055 0.000 0.733 279 V HN 0.446 nan 8.190 nan 0.000 0.468 280 T N 2.091 116.689 114.554 0.074 0.000 2.767 280 T HA 0.338 4.645 4.350 -0.070 0.000 0.284 280 T C -0.247 174.492 174.700 0.066 0.000 0.973 280 T CA -0.413 61.716 62.100 0.047 0.000 0.996 280 T CB 0.727 69.619 68.868 0.040 0.000 0.927 280 T HN 0.306 nan 8.240 nan 0.000 0.456 281 N N 2.281 120.993 118.700 0.019 0.000 2.294 281 N HA 0.221 4.919 4.740 -0.070 0.000 0.248 281 N C 0.262 175.814 175.510 0.070 0.000 1.242 281 N CA 0.033 53.103 53.050 0.034 0.000 0.848 281 N CB 0.185 38.593 38.487 -0.130 0.000 1.084 281 N HN 0.852 nan 8.380 nan 0.000 0.457 282 A N 1.926 124.821 122.820 0.126 0.000 2.520 282 A HA 0.189 4.466 4.320 -0.070 0.000 0.245 282 A C 0.193 177.829 177.584 0.088 0.000 1.072 282 A CA 0.035 52.132 52.037 0.100 0.000 0.761 282 A CB -0.110 18.952 19.000 0.103 0.000 1.004 282 A HN 0.558 nan 8.150 nan 0.000 0.499 283 T N 3.215 117.824 114.554 0.093 0.000 2.728 283 T HA 0.381 4.689 4.350 -0.070 0.000 0.296 283 T C 0.183 174.975 174.700 0.153 0.000 0.940 283 T CA 0.035 62.202 62.100 0.111 0.000 1.013 283 T CB 0.345 69.285 68.868 0.120 0.000 0.912 283 T HN 0.564 nan 8.240 nan 0.000 0.484 284 S N 4.171 119.960 115.700 0.149 0.000 2.457 284 S HA 0.415 4.843 4.470 -0.070 0.000 0.289 284 S C 0.213 174.972 174.600 0.264 0.000 1.163 284 S CA -0.913 57.405 58.200 0.196 0.000 1.078 284 S CB 0.481 63.756 63.200 0.125 0.000 0.987 284 S HN 0.480 nan 8.310 nan 0.000 0.482 285 I N 3.128 123.867 120.570 0.281 0.000 2.352 285 I HA 0.234 4.362 4.170 -0.070 0.000 0.290 285 I C 0.713 176.940 176.117 0.184 0.000 1.036 285 I CA -0.214 61.252 61.300 0.277 0.000 1.336 285 I CB 0.447 38.685 38.000 0.398 0.000 1.407 285 I HN 0.698 nan 8.210 nan 0.000 0.497 286 Q N 5.766 125.643 119.800 0.128 0.000 2.352 286 Q HA 0.391 4.689 4.340 -0.070 0.000 0.260 286 Q C -0.898 175.017 176.000 -0.142 0.000 0.976 286 Q CA -0.195 55.465 55.803 -0.237 0.000 0.881 286 Q CB 1.057 29.639 28.738 -0.259 0.000 1.235 286 Q HN 0.534 nan 8.270 nan 0.000 0.419 287 I N 3.977 124.436 120.570 -0.186 0.000 2.354 287 I HA 0.194 4.321 4.170 -0.070 0.000 0.286 287 I C 0.381 176.462 176.117 -0.059 0.000 1.007 287 I CA -0.684 60.585 61.300 -0.052 0.000 1.167 287 I CB 1.412 39.411 38.000 -0.000 0.000 1.320 287 I HN 0.685 nan 8.210 nan 0.000 0.458 288 T N 2.991 117.485 114.554 -0.099 0.000 2.882 288 T HA 0.636 4.944 4.350 -0.070 0.000 0.287 288 T C 0.312 174.825 174.700 -0.312 0.000 1.014 288 T CA -0.744 61.251 62.100 -0.176 0.000 1.049 288 T CB 1.623 70.383 68.868 -0.180 0.000 1.001 288 T HN 0.583 nan 8.240 nan 0.000 0.525 289 A N 2.692 125.114 122.820 -0.662 0.000 2.351 289 A HA 0.627 4.905 4.320 -0.070 0.000 0.257 289 A C -2.246 174.843 177.584 -0.826 0.000 1.087 289 A CA -1.730 49.480 52.037 -1.377 0.000 0.798 289 A CB -0.698 17.061 19.000 -2.069 0.000 1.033 289 A HN 0.746 nan 8.150 nan 0.000 0.488 290 P HA 0.158 nan 4.420 nan 0.000 0.268 290 P C 0.971 178.053 177.300 -0.362 0.000 1.208 290 P CA 0.667 63.522 63.100 -0.409 0.000 0.777 290 P CB 0.562 32.080 31.700 -0.303 0.000 0.875 291 A N 2.718 125.396 122.820 -0.237 0.000 1.954 291 A HA -0.294 3.983 4.320 -0.070 0.000 0.222 291 A C 2.213 179.695 177.584 -0.170 0.000 1.199 291 A CA 2.917 54.844 52.037 -0.183 0.000 0.657 291 A CB -1.954 16.971 19.000 -0.125 0.000 0.823 291 A HN 0.659 nan 8.150 nan 0.000 0.463 292 S N -1.749 113.868 115.700 -0.138 0.000 2.447 292 S HA -0.084 4.343 4.470 -0.070 0.000 0.233 292 S C 1.797 176.327 174.600 -0.117 0.000 1.006 292 S CA 1.589 59.738 58.200 -0.086 0.000 0.957 292 S CB -0.302 62.921 63.200 0.039 0.000 0.773 292 S HN 0.413 nan 8.310 nan 0.000 0.507 293 M N 0.861 120.314 119.600 -0.246 0.000 2.325 293 M HA 0.345 4.783 4.480 -0.070 0.000 0.265 293 M C 2.028 178.062 176.300 -0.445 0.000 1.094 293 M CA 0.794 55.872 55.300 -0.370 0.000 1.161 293 M CB -1.218 30.993 32.600 -0.648 0.000 1.358 293 M HN 0.326 nan 8.290 nan 0.000 0.446 294 L N 1.125 122.076 121.223 -0.454 0.000 2.549 294 L HA -0.070 4.227 4.340 -0.070 0.000 0.229 294 L C 2.128 178.924 176.870 -0.124 0.000 1.158 294 L CA 0.330 54.983 54.840 -0.312 0.000 0.842 294 L CB -0.546 41.340 42.059 -0.287 0.000 0.952 294 L HN 0.311 nan 8.230 nan 0.000 0.452 295 I N -3.103 117.398 120.570 -0.116 0.000 3.444 295 I HA 0.214 4.342 4.170 -0.070 0.000 0.287 295 I C 0.824 176.919 176.117 -0.036 0.000 1.302 295 I CA 0.364 61.622 61.300 -0.070 0.000 1.368 295 I CB -0.446 37.505 38.000 -0.082 0.000 1.048 295 I HN 0.082 nan 8.210 nan 0.000 0.487 296 G N 0.274 109.074 108.800 0.000 0.000 2.606 296 G HA2 0.242 4.160 3.960 -0.070 0.000 0.300 296 G HA3 0.242 4.160 3.960 -0.070 0.000 0.300 296 G C -1.852 173.105 174.900 0.095 0.000 1.360 296 G CA -0.602 44.511 45.100 0.022 0.000 0.783 296 G HN 0.042 nan 8.290 nan 0.000 0.484 297 D N 0.628 121.029 120.400 0.001 0.000 2.443 297 D HA 0.493 5.091 4.640 -0.070 0.000 0.239 297 D C 0.339 176.571 176.300 -0.112 0.000 1.136 297 D CA 0.968 54.907 54.000 -0.100 0.000 0.879 297 D CB 0.682 41.397 40.800 -0.142 0.000 1.195 297 D HN 0.636 nan 8.370 nan 0.000 0.443 298 H N -1.623 117.290 119.070 -0.262 0.000 2.981 298 H HA 0.586 5.099 4.556 -0.071 0.000 0.327 298 H C -1.561 173.597 175.328 -0.284 0.000 1.342 298 H CA -1.003 54.891 56.048 -0.258 0.000 1.123 298 H CB 0.466 30.215 29.762 -0.021 0.000 1.851 298 H HN 0.237 nan 8.280 nan 0.000 0.531 299 Y N -0.074 120.435 120.300 0.349 0.000 2.536 299 Y HA 0.360 4.868 4.550 -0.070 0.000 0.347 299 Y C -0.472 175.731 175.900 0.505 0.000 1.000 299 Y CA -1.347 56.968 58.100 0.359 0.000 1.051 299 Y CB 1.960 40.487 38.460 0.112 0.000 1.259 299 Y HN 0.557 nan 8.280 nan 0.000 0.468 300 L N 3.429 125.021 121.223 0.615 0.000 2.278 300 L HA 0.215 4.513 4.340 -0.070 0.000 0.287 300 L C 0.403 177.461 176.870 0.314 0.000 1.072 300 L CA -0.180 54.718 54.840 0.096 0.000 0.819 300 L CB 0.407 42.454 42.059 -0.020 0.000 1.176 300 L HN 1.134 nan 8.230 nan 0.000 0.435 301 C N 0.726 120.100 119.300 0.123 0.000 3.228 301 C HA 0.457 4.874 4.460 -0.070 0.000 0.290 301 C C 0.257 175.338 174.990 0.153 0.000 1.301 301 C CA -0.413 58.735 59.018 0.217 0.000 1.703 301 C CB -0.504 27.321 27.740 0.142 0.000 2.141 301 C HN 0.833 nan 8.230 nan 0.000 0.656 302 D N -0.378 119.960 120.400 -0.104 0.000 2.836 302 D HA 0.533 5.131 4.640 -0.070 0.000 0.215 302 D C -1.542 174.432 176.300 -0.543 0.000 1.255 302 D CA -0.110 53.744 54.000 -0.245 0.000 0.822 302 D CB 2.151 42.843 40.800 -0.179 0.000 1.656 302 D HN 0.013 nan 8.370 nan 0.000 0.511 303 V N 2.679 122.172 119.914 -0.701 0.000 2.483 303 V HA 0.688 4.765 4.120 -0.070 0.000 0.297 303 V C -0.486 175.184 176.094 -0.706 0.000 1.027 303 V CA -0.467 61.241 62.300 -0.987 0.000 0.855 303 V CB 1.899 32.635 31.823 -1.811 0.000 0.995 303 V HN 0.699 nan 8.190 nan 0.000 0.424 304 T N 3.614 117.858 114.554 -0.517 0.000 2.937 304 T HA 0.360 4.668 4.350 -0.070 0.000 0.297 304 T C -0.790 173.787 174.700 -0.206 0.000 0.991 304 T CA -0.460 61.507 62.100 -0.222 0.000 0.990 304 T CB 0.798 69.619 68.868 -0.077 0.000 0.991 304 T HN 0.527 nan 8.240 nan 0.000 0.440 305 W N 2.047 123.286 121.300 -0.102 0.000 2.181 305 W HA 0.449 5.067 4.660 -0.070 0.000 0.335 305 W C 1.141 177.543 176.519 -0.195 0.000 1.310 305 W CA -0.229 57.055 57.345 -0.103 0.000 1.226 305 W CB 0.512 29.984 29.460 0.021 0.000 1.155 305 W HN 0.830 nan 8.180 nan 0.000 0.565 306 A N 1.747 124.462 122.820 -0.175 0.000 2.013 306 A HA 0.222 4.500 4.320 -0.070 0.000 0.204 306 A C 0.862 178.356 177.584 -0.149 0.000 1.262 306 A CA 1.401 53.061 52.037 -0.628 0.000 0.800 306 A CB -0.256 17.915 19.000 -1.381 0.000 0.909 306 A HN 0.537 nan 8.150 nan 0.000 0.472 307 T N -5.469 109.114 114.554 0.048 0.000 2.618 307 T HA 0.318 4.625 4.350 -0.070 0.000 0.286 307 T C 0.118 174.965 174.700 0.246 0.000 1.027 307 T CA -0.314 61.865 62.100 0.132 0.000 1.063 307 T CB 0.558 69.490 68.868 0.106 0.000 1.440 307 T HN -0.072 nan 8.240 nan 0.000 0.505 308 Q N 0.450 120.366 119.800 0.194 0.000 2.291 308 Q HA 0.066 4.364 4.340 -0.070 0.000 0.205 308 Q C 0.734 176.955 176.000 0.368 0.000 0.970 308 Q CA 1.267 57.190 55.803 0.199 0.000 0.876 308 Q CB -0.012 28.808 28.738 0.137 0.000 0.935 308 Q HN 0.826 nan 8.270 nan 0.000 0.455 309 E N -0.020 120.397 120.200 0.361 0.000 2.876 309 E HA 0.218 4.526 4.350 -0.070 0.000 0.208 309 E C -0.172 176.650 176.600 0.369 0.000 0.981 309 E CA -0.173 56.449 56.400 0.369 0.000 1.174 309 E CB 1.090 30.935 29.700 0.242 0.000 1.047 309 E HN -0.033 nan 8.360 nan 0.000 0.477 310 R N 1.838 122.576 120.500 0.397 0.000 2.538 310 R HA 0.475 4.773 4.340 -0.070 0.000 0.292 310 R C -1.338 174.968 176.300 0.011 0.000 1.008 310 R CA -0.412 55.810 56.100 0.204 0.000 0.896 310 R CB 1.113 31.430 30.300 0.028 0.000 1.187 310 R HN -0.003 nan 8.270 nan 0.000 0.440 311 I N 2.563 123.000 120.570 -0.222 0.000 2.530 311 I HA 0.364 4.492 4.170 -0.070 0.000 0.297 311 I C -0.035 175.803 176.117 -0.466 0.000 1.011 311 I CA -1.006 59.918 61.300 -0.626 0.000 1.107 311 I CB 2.117 39.468 38.000 -1.082 0.000 1.285 311 I HN 0.606 nan 8.210 nan 0.000 0.436 312 S N 6.798 122.214 115.700 -0.472 0.000 2.472 312 S HA 0.781 5.208 4.470 -0.070 0.000 0.303 312 S C -0.925 173.369 174.600 -0.510 0.000 1.099 312 S CA -0.716 57.266 58.200 -0.364 0.000 1.077 312 S CB 1.383 64.480 63.200 -0.172 0.000 1.031 312 S HN 0.560 nan 8.310 nan 0.000 0.487 313 L N 2.510 123.435 121.223 -0.497 0.000 2.362 313 L HA 0.525 4.822 4.340 -0.070 0.000 0.275 313 L C -0.267 176.296 176.870 -0.513 0.000 0.998 313 L CA -0.608 53.819 54.840 -0.689 0.000 0.820 313 L CB 2.069 43.644 42.059 -0.807 0.000 1.270 313 L HN 0.707 nan 8.230 nan 0.000 0.415 314 Q N 1.845 121.317 119.800 -0.547 0.000 2.293 314 Q HA 0.445 4.743 4.340 -0.070 0.000 0.261 314 Q C -1.657 174.103 176.000 -0.400 0.000 0.960 314 Q CA -0.422 55.188 55.803 -0.322 0.000 0.882 314 Q CB 2.196 30.813 28.738 -0.202 0.000 1.275 314 Q HN 0.387 nan 8.270 nan 0.000 0.445 315 W N 2.407 123.678 121.300 -0.048 0.000 2.706 315 W HA 0.671 5.289 4.660 -0.070 0.000 0.346 315 W C -0.884 175.677 176.519 0.071 0.000 1.071 315 W CA -0.550 56.815 57.345 0.033 0.000 1.206 315 W CB 1.177 30.629 29.460 -0.013 0.000 1.413 315 W HN 0.318 nan 8.180 nan 0.000 0.542 316 L N 2.480 123.950 121.223 0.412 0.000 2.408 316 L HA 0.532 4.829 4.340 -0.070 0.000 0.268 316 L C 0.115 177.161 176.870 0.294 0.000 0.986 316 L CA -1.162 53.871 54.840 0.321 0.000 0.820 316 L CB 1.686 43.957 42.059 0.354 0.000 1.303 316 L HN 0.442 nan 8.230 nan 0.000 0.411 317 R N 1.959 122.602 120.500 0.237 0.000 2.641 317 R HA 0.141 4.439 4.340 -0.070 0.000 0.269 317 R C 0.943 177.274 176.300 0.052 0.000 1.074 317 R CA -0.249 55.932 56.100 0.134 0.000 1.133 317 R CB 0.784 31.162 30.300 0.130 0.000 1.029 317 R HN 0.579 nan 8.270 nan 0.000 0.488 318 R N 1.855 122.296 120.500 -0.097 0.000 2.127 318 R HA -0.063 4.235 4.340 -0.070 0.000 0.238 318 R C 0.361 176.688 176.300 0.045 0.000 1.134 318 R CA 1.125 57.159 56.100 -0.111 0.000 0.975 318 R CB 0.010 30.204 30.300 -0.178 0.000 0.865 318 R HN 0.514 nan 8.270 nan 0.000 0.447 319 I N 2.569 123.159 120.570 0.034 0.000 2.329 319 I HA -0.011 4.117 4.170 -0.070 0.000 0.295 319 I C 0.376 176.547 176.117 0.089 0.000 1.109 319 I CA 0.295 61.624 61.300 0.049 0.000 1.297 319 I CB 1.202 39.217 38.000 0.025 0.000 1.433 319 I HN 0.202 nan 8.210 nan 0.000 0.509 320 Q N 4.620 124.474 119.800 0.090 0.000 2.292 320 Q HA -0.033 4.264 4.340 -0.070 0.000 0.235 320 Q C 0.690 176.769 176.000 0.131 0.000 0.910 320 Q CA -0.017 55.858 55.803 0.119 0.000 0.952 320 Q CB -0.303 28.473 28.738 0.062 0.000 1.089 320 Q HN 0.672 nan 8.270 nan 0.000 0.431 321 N N -0.833 117.947 118.700 0.133 0.000 2.203 321 N HA -0.055 4.643 4.740 -0.070 0.000 0.207 321 N C -0.944 174.678 175.510 0.187 0.000 1.130 321 N CA -0.122 53.002 53.050 0.124 0.000 0.861 321 N CB 0.313 38.845 38.487 0.075 0.000 1.005 321 N HN 0.187 nan 8.380 nan 0.000 0.507 322 Y N 0.967 121.297 120.300 0.050 0.000 2.330 322 Y HA 0.507 5.015 4.550 -0.070 0.000 0.324 322 Y C -1.219 174.723 175.900 0.070 0.000 1.093 322 Y CA -0.822 57.307 58.100 0.047 0.000 1.103 322 Y CB 1.313 39.791 38.460 0.029 0.000 1.183 322 Y HN 0.147 nan 8.280 nan 0.000 0.433 323 S N 3.639 119.195 115.700 -0.240 0.000 2.632 323 S HA 0.921 5.349 4.470 -0.070 0.000 0.289 323 S C -1.679 172.765 174.600 -0.259 0.000 1.115 323 S CA -0.914 57.209 58.200 -0.127 0.000 0.889 323 S CB 2.212 65.411 63.200 -0.003 0.000 1.116 323 S HN 0.407 nan 8.310 nan 0.000 0.486 324 V N 2.051 121.928 119.914 -0.062 0.000 2.577 324 V HA 0.488 4.565 4.120 -0.070 0.000 0.303 324 V C -0.566 175.558 176.094 0.051 0.000 1.042 324 V CA -0.590 61.692 62.300 -0.030 0.000 0.872 324 V CB 1.755 33.584 31.823 0.011 0.000 0.998 324 V HN 1.021 nan 8.190 nan 0.000 0.423 325 M N 3.837 123.439 119.600 0.003 0.000 2.209 325 M HA 0.501 4.938 4.480 -0.070 0.000 0.355 325 M C -1.143 175.156 176.300 -0.003 0.000 1.171 325 M CA -0.148 55.134 55.300 -0.029 0.000 1.069 325 M CB 1.011 33.559 32.600 -0.086 0.000 1.622 325 M HN 0.600 nan 8.290 nan 0.000 0.459 326 D N 4.917 125.309 120.400 -0.013 0.000 2.248 326 D HA 0.468 5.066 4.640 -0.070 0.000 0.246 326 D C -0.841 175.412 176.300 -0.078 0.000 1.027 326 D CA -0.173 53.814 54.000 -0.023 0.000 0.853 326 D CB 1.955 42.776 40.800 0.035 0.000 1.243 326 D HN 0.488 nan 8.370 nan 0.000 0.462 327 I N 2.160 122.698 120.570 -0.054 0.000 2.378 327 I HA 0.287 4.415 4.170 -0.070 0.000 0.291 327 I C -0.306 175.789 176.117 -0.037 0.000 0.992 327 I CA -0.458 60.809 61.300 -0.055 0.000 1.154 327 I CB 1.204 39.208 38.000 0.008 0.000 1.315 327 I HN 0.230 nan 8.210 nan 0.000 0.448 328 c N 4.498 123.076 118.600 -0.037 0.000 2.364 328 c HA 0.452 4.980 4.570 -0.070 0.000 0.324 328 c C -0.114 174.102 174.090 0.209 0.000 1.234 328 c CA -0.781 55.593 56.329 0.074 0.000 1.417 328 c CB 1.321 43.864 42.510 0.055 0.000 2.101 328 c HN 0.595 nan 8.230 nan 0.000 0.466 329 D N 1.137 121.630 120.400 0.154 0.000 2.192 329 D HA 0.249 4.847 4.640 -0.070 0.000 0.246 329 D C -0.490 175.753 176.300 -0.094 0.000 1.042 329 D CA -0.151 53.895 54.000 0.075 0.000 0.847 329 D CB 1.139 41.945 40.800 0.009 0.000 1.186 329 D HN 0.582 nan 8.370 nan 0.000 0.461 330 Y N 1.558 121.491 120.300 -0.612 0.000 2.425 330 Y HA 0.132 4.640 4.550 -0.070 0.000 0.331 330 Y C -0.003 175.599 175.900 -0.496 0.000 1.157 330 Y CA -0.064 57.362 58.100 -1.122 0.000 1.372 330 Y CB 0.677 38.311 38.460 -1.377 0.000 1.253 330 Y HN 0.152 nan 8.280 nan 0.000 0.536 331 D N 5.286 125.104 120.400 -0.971 0.000 2.467 331 D HA 0.108 4.705 4.640 -0.070 0.000 0.220 331 D C 0.851 176.634 176.300 -0.863 0.000 1.103 331 D CA -0.028 53.561 54.000 -0.685 0.000 0.886 331 D CB 0.506 41.068 40.800 -0.396 0.000 1.025 331 D HN 0.833 nan 8.370 nan 0.000 0.514 332 E N 1.457 121.253 120.200 -0.674 0.000 2.187 332 E HA -0.255 4.052 4.350 -0.070 0.000 0.199 332 E C 1.456 177.910 176.600 -0.245 0.000 1.004 332 E CA 1.313 57.473 56.400 -0.401 0.000 0.813 332 E CB 0.340 29.959 29.700 -0.135 0.000 0.736 332 E HN 0.470 nan 8.360 nan 0.000 0.468 333 S N -0.571 114.996 115.700 -0.221 0.000 2.388 333 S HA -0.086 4.342 4.470 -0.070 0.000 0.223 333 S C 2.027 176.560 174.600 -0.112 0.000 1.034 333 S CA 1.308 59.432 58.200 -0.126 0.000 0.963 333 S CB -0.000 63.138 63.200 -0.102 0.000 0.827 333 S HN 0.275 nan 8.310 nan 0.000 0.481 334 S N -0.431 115.176 115.700 -0.154 0.000 2.492 334 S HA 0.456 4.883 4.470 -0.070 0.000 0.218 334 S C 1.660 176.211 174.600 -0.082 0.000 1.016 334 S CA 0.607 58.747 58.200 -0.099 0.000 0.916 334 S CB -0.392 62.752 63.200 -0.093 0.000 0.791 334 S HN 1.589 nan 8.310 nan 0.000 0.513 335 G N 1.580 110.268 108.800 -0.186 0.000 2.136 335 G HA2 -0.235 3.683 3.960 -0.070 0.000 0.242 335 G HA3 -0.235 3.683 3.960 -0.070 0.000 0.242 335 G C 0.056 174.978 174.900 0.036 0.000 0.989 335 G CA 0.123 45.197 45.100 -0.044 0.000 0.682 335 G HN 0.598 nan 8.290 nan 0.000 0.522 336 R N -1.827 118.584 120.500 -0.147 0.000 2.875 336 R HA 0.674 4.972 4.340 -0.070 0.000 0.251 336 R C -0.891 175.284 176.300 -0.209 0.000 1.123 336 R CA -0.876 55.214 56.100 -0.017 0.000 1.064 336 R CB 0.933 31.248 30.300 0.025 0.000 1.205 336 R HN 0.135 nan 8.270 nan 0.000 0.503 337 W N 0.825 122.144 121.300 0.031 0.000 2.417 337 W HA 0.388 5.005 4.660 -0.071 0.000 0.315 337 W C -0.430 176.071 176.519 -0.030 0.000 1.045 337 W CA -0.483 56.868 57.345 0.011 0.000 1.221 337 W CB 1.067 30.526 29.460 -0.001 0.000 1.309 337 W HN 0.220 nan 8.180 nan 0.000 0.453 338 N N 2.502 121.262 118.700 0.099 0.000 2.362 338 N HA 0.414 5.112 4.740 -0.070 0.000 0.298 338 N C -1.364 174.174 175.510 0.046 0.000 1.048 338 N CA -0.465 52.609 53.050 0.040 0.000 0.858 338 N CB 1.808 40.281 38.487 -0.024 0.000 1.218 338 N HN 0.233 nan 8.380 nan 0.000 0.488 339 c N 3.084 121.695 118.600 0.018 0.000 2.357 339 c HA 0.359 4.887 4.570 -0.070 0.000 0.300 339 c C 0.667 174.741 174.090 -0.027 0.000 1.074 339 c CA -1.005 55.322 56.329 -0.004 0.000 1.566 339 c CB -1.169 41.331 42.510 -0.017 0.000 1.791 339 c HN 0.516 nan 8.230 nan 0.000 0.415 340 L N 2.548 123.754 121.223 -0.028 0.000 2.534 340 L HA 0.054 4.352 4.340 -0.070 0.000 0.271 340 L C 1.562 178.401 176.870 -0.052 0.000 1.178 340 L CA 0.071 54.888 54.840 -0.038 0.000 0.907 340 L CB 0.151 42.189 42.059 -0.034 0.000 1.164 340 L HN 0.454 nan 8.230 nan 0.000 0.482 341 V N 3.367 123.248 119.914 -0.055 0.000 2.527 341 V HA -0.338 3.740 4.120 -0.070 0.000 0.255 341 V C 2.372 178.424 176.094 -0.071 0.000 1.081 341 V CA 2.215 64.478 62.300 -0.062 0.000 1.092 341 V CB -0.676 31.114 31.823 -0.055 0.000 0.673 341 V HN 1.024 nan 8.190 nan 0.000 0.470 342 A N -0.644 122.136 122.820 -0.067 0.000 2.206 342 A HA -0.059 4.219 4.320 -0.070 0.000 0.211 342 A C 2.248 179.761 177.584 -0.120 0.000 1.158 342 A CA 0.816 52.807 52.037 -0.078 0.000 0.761 342 A CB -0.349 18.619 19.000 -0.055 0.000 0.801 342 A HN 0.538 nan 8.150 nan 0.000 0.473 343 R N -0.496 119.929 120.500 -0.124 0.000 2.334 343 R HA 0.114 4.411 4.340 -0.070 0.000 0.216 343 R C -0.048 176.082 176.300 -0.283 0.000 0.905 343 R CA -0.090 55.906 56.100 -0.174 0.000 1.064 343 R CB 0.194 30.451 30.300 -0.070 0.000 1.046 343 R HN 0.586 nan 8.270 nan 0.000 0.508 344 Q N 0.700 120.373 119.800 -0.212 0.000 2.297 344 Q HA 0.053 4.351 4.340 -0.070 0.000 0.267 344 Q C -0.869 174.998 176.000 -0.221 0.000 1.006 344 Q CA 0.531 56.237 55.803 -0.162 0.000 0.896 344 Q CB 0.766 29.451 28.738 -0.088 0.000 1.186 344 Q HN 0.264 nan 8.270 nan 0.000 0.392 345 H N 1.593 120.654 119.070 -0.015 0.000 2.457 345 H HA 0.423 4.937 4.556 -0.070 0.000 0.335 345 H C -0.590 174.698 175.328 -0.068 0.000 1.115 345 H CA -0.597 55.442 56.048 -0.015 0.000 1.219 345 H CB 1.176 30.927 29.762 -0.019 0.000 1.471 345 H HN 0.461 nan 8.280 nan 0.000 0.491 346 I N 2.258 122.858 120.570 0.050 0.000 2.377 346 I HA 0.186 4.314 4.170 -0.070 0.000 0.293 346 I C -0.226 175.844 176.117 -0.077 0.000 0.987 346 I CA -0.236 60.998 61.300 -0.111 0.000 1.185 346 I CB 1.485 39.398 38.000 -0.145 0.000 1.341 346 I HN 0.608 nan 8.210 nan 0.000 0.455 347 E N 8.440 128.550 120.200 -0.149 0.000 2.216 347 E HA 0.596 4.904 4.350 -0.070 0.000 0.260 347 E C -1.357 175.173 176.600 -0.116 0.000 0.880 347 E CA -0.746 55.610 56.400 -0.075 0.000 0.765 347 E CB 1.260 30.941 29.700 -0.030 0.000 1.174 347 E HN 0.612 nan 8.360 nan 0.000 0.417 348 M N 1.440 121.008 119.600 -0.054 0.000 2.619 348 M HA 0.583 5.021 4.480 -0.070 0.000 0.297 348 M C -0.798 175.518 176.300 0.027 0.000 1.229 348 M CA -0.997 54.304 55.300 0.001 0.000 0.860 348 M CB 2.264 34.914 32.600 0.084 0.000 1.741 348 M HN 0.198 nan 8.290 nan 0.000 0.462 349 S N -0.489 115.229 115.700 0.030 0.000 2.482 349 S HA 0.461 4.889 4.470 -0.070 0.000 0.303 349 S C 0.332 174.926 174.600 -0.009 0.000 1.091 349 S CA -0.154 58.039 58.200 -0.012 0.000 1.057 349 S CB 1.799 64.948 63.200 -0.085 0.000 1.031 349 S HN 0.918 nan 8.310 nan 0.000 0.485 350 T N 1.340 115.885 114.554 -0.015 0.000 3.065 350 T HA 0.052 4.359 4.350 -0.070 0.000 0.252 350 T C 1.368 176.040 174.700 -0.046 0.000 1.099 350 T CA 1.349 63.439 62.100 -0.016 0.000 1.063 350 T CB -0.306 68.561 68.868 -0.000 0.000 0.948 350 T HN 0.730 nan 8.240 nan 0.000 0.506 351 T N -2.784 111.716 114.554 -0.090 0.000 3.003 351 T HA 0.622 4.930 4.350 -0.070 0.000 0.261 351 T C 0.997 175.509 174.700 -0.314 0.000 1.003 351 T CA 0.440 62.476 62.100 -0.107 0.000 0.917 351 T CB 0.715 69.581 68.868 -0.002 0.000 1.084 351 T HN 0.465 nan 8.240 nan 0.000 0.522 352 G N 0.519 108.994 108.800 -0.542 0.000 2.619 352 G HA2 0.481 4.398 3.960 -0.070 0.000 0.146 352 G HA3 0.481 4.398 3.960 -0.070 0.000 0.146 352 G C -1.739 172.914 174.900 -0.412 0.000 1.192 352 G CA -0.476 44.109 45.100 -0.858 0.000 1.063 352 G HN 0.509 nan 8.290 nan 0.000 0.538 353 W N -0.173 120.853 121.300 -0.457 0.000 2.703 353 W HA 0.782 5.399 4.660 -0.071 0.000 0.359 353 W C -0.487 175.977 176.519 -0.091 0.000 1.168 353 W CA -1.393 55.824 57.345 -0.213 0.000 1.177 353 W CB 0.927 30.238 29.460 -0.247 0.000 1.434 353 W HN 0.296 nan 8.180 nan 0.000 0.618 354 V N 3.154 123.166 119.914 0.163 0.000 2.432 354 V HA 0.686 4.764 4.120 -0.070 0.000 0.275 354 V C 0.804 176.994 176.094 0.159 0.000 1.043 354 V CA 0.446 62.805 62.300 0.098 0.000 0.925 354 V CB -0.152 31.719 31.823 0.080 0.000 0.985 354 V HN 1.326 nan 8.190 nan 0.000 0.466 355 G N 5.278 114.130 108.800 0.087 0.000 2.796 355 G HA2 -0.191 3.727 3.960 -0.070 0.000 0.571 355 G HA3 -0.191 3.727 3.960 -0.070 0.000 0.571 355 G C 0.315 175.297 174.900 0.138 0.000 1.370 355 G CA 0.215 45.383 45.100 0.114 0.000 0.856 355 G HN 0.642 nan 8.290 nan 0.000 0.538 356 R N -0.919 119.661 120.500 0.134 0.000 2.055 356 R HA 0.176 4.474 4.340 -0.070 0.000 0.228 356 R C 2.209 178.462 176.300 -0.080 0.000 1.143 356 R CA 2.148 58.287 56.100 0.064 0.000 0.945 356 R CB -0.122 30.234 30.300 0.093 0.000 0.841 356 R HN 0.454 nan 8.270 nan 0.000 0.429 357 F N -0.562 119.549 119.950 0.269 0.000 2.667 357 F HA 0.259 4.745 4.527 -0.070 0.000 0.288 357 F C 0.783 176.657 175.800 0.122 0.000 1.086 357 F CA -0.365 57.750 58.000 0.192 0.000 1.297 357 F CB 0.580 39.688 39.000 0.180 0.000 1.059 357 F HN -0.103 nan 8.300 nan 0.000 0.624 358 R N -0.620 120.050 120.500 0.282 0.000 2.752 358 R HA 0.472 4.770 4.340 -0.070 0.000 0.271 358 R C -3.233 173.164 176.300 0.161 0.000 1.026 358 R CA -2.088 54.121 56.100 0.183 0.000 0.901 358 R CB 0.101 30.498 30.300 0.160 0.000 1.243 358 R HN -0.356 nan 8.270 nan 0.000 0.463 359 P HA -0.042 nan 4.420 nan 0.000 0.264 359 P C -0.194 177.154 177.300 0.079 0.000 1.183 359 P CA 0.120 63.267 63.100 0.078 0.000 0.763 359 P CB 0.675 32.395 31.700 0.034 0.000 0.807 360 S N 2.158 117.909 115.700 0.085 0.000 2.579 360 S HA 0.127 4.555 4.470 -0.070 0.000 0.275 360 S C 0.275 174.902 174.600 0.045 0.000 1.345 360 S CA -0.667 57.593 58.200 0.099 0.000 1.031 360 S CB 0.337 63.613 63.200 0.127 0.000 0.892 360 S HN 0.520 nan 8.310 nan 0.000 0.529 361 E N 2.059 122.293 120.200 0.057 0.000 2.313 361 E HA 0.396 4.704 4.350 -0.070 0.000 0.272 361 E C -2.792 173.781 176.600 -0.044 0.000 1.038 361 E CA -2.404 53.972 56.400 -0.040 0.000 0.863 361 E CB 0.369 30.036 29.700 -0.054 0.000 1.060 361 E HN 0.470 nan 8.360 nan 0.000 0.402 362 P HA 0.258 nan 4.420 nan 0.000 0.282 362 P C -1.111 175.979 177.300 -0.349 0.000 1.249 362 P CA -0.401 62.517 63.100 -0.304 0.000 0.806 362 P CB 0.484 31.623 31.700 -0.935 0.000 0.984 363 H N 1.228 120.255 119.070 -0.072 0.000 2.685 363 H HA 0.405 4.918 4.556 -0.071 0.000 0.307 363 H C -0.395 175.003 175.328 0.117 0.000 1.017 363 H CA -0.246 55.850 56.048 0.080 0.000 1.237 363 H CB -0.121 29.740 29.762 0.165 0.000 1.409 363 H HN 0.218 nan 8.280 nan 0.000 0.488 364 F N 1.297 121.426 119.950 0.298 0.000 2.399 364 F HA 0.177 4.661 4.527 -0.071 0.000 0.342 364 F C 1.168 177.155 175.800 0.313 0.000 1.106 364 F CA -0.284 57.899 58.000 0.305 0.000 1.196 364 F CB 0.913 40.025 39.000 0.187 0.000 1.163 364 F HN 0.361 nan 8.300 nan 0.000 0.547 365 T N 4.370 119.242 114.554 0.529 0.000 2.926 365 T HA -0.002 4.306 4.350 -0.070 0.000 0.307 365 T C 1.302 176.201 174.700 0.331 0.000 1.059 365 T CA -0.491 61.850 62.100 0.403 0.000 1.122 365 T CB 0.707 69.801 68.868 0.376 0.000 0.972 365 T HN 0.542 nan 8.240 nan 0.000 0.545 366 L N 2.781 124.151 121.223 0.245 0.000 2.089 366 L HA -0.199 4.099 4.340 -0.070 0.000 0.213 366 L C 1.993 178.966 176.870 0.170 0.000 1.079 366 L CA 2.176 57.130 54.840 0.189 0.000 0.758 366 L CB -0.874 41.272 42.059 0.145 0.000 0.891 366 L HN 0.855 nan 8.230 nan 0.000 0.433 367 D N -1.669 118.835 120.400 0.174 0.000 2.264 367 D HA 0.021 4.619 4.640 -0.070 0.000 0.208 367 D C 1.717 178.111 176.300 0.157 0.000 0.966 367 D CA 0.914 55.004 54.000 0.149 0.000 0.864 367 D CB -0.496 40.388 40.800 0.139 0.000 0.933 367 D HN 0.423 nan 8.370 nan 0.000 0.499 368 G N 0.128 109.057 108.800 0.215 0.000 2.162 368 G HA2 -0.344 3.574 3.960 -0.070 0.000 0.260 368 G HA3 -0.344 3.574 3.960 -0.070 0.000 0.260 368 G C 0.909 175.955 174.900 0.244 0.000 0.976 368 G CA 0.403 45.610 45.100 0.178 0.000 0.655 368 G HN 0.344 nan 8.290 nan 0.000 0.533 369 N N 0.218 119.072 118.700 0.256 0.000 2.280 369 N HA 0.237 4.935 4.740 -0.070 0.000 0.192 369 N C 0.842 176.494 175.510 0.237 0.000 1.109 369 N CA 1.098 54.279 53.050 0.218 0.000 0.855 369 N CB 0.564 39.138 38.487 0.144 0.000 0.974 369 N HN 0.965 nan 8.380 nan 0.000 0.482 370 S N -0.551 115.343 115.700 0.323 0.000 2.643 370 S HA 0.751 5.179 4.470 -0.070 0.000 0.270 370 S C -1.122 173.624 174.600 0.243 0.000 1.166 370 S CA -0.992 57.283 58.200 0.124 0.000 0.815 370 S CB 1.601 64.723 63.200 -0.131 0.000 1.139 370 S HN 0.105 nan 8.310 nan 0.000 0.472 371 F N -2.031 117.786 119.950 -0.221 0.000 2.713 371 F HA 0.822 5.307 4.527 -0.071 0.000 0.311 371 F C -2.268 173.363 175.800 -0.283 0.000 1.141 371 F CA -1.462 56.351 58.000 -0.312 0.000 0.939 371 F CB 0.579 39.020 39.000 -0.931 0.000 1.325 371 F HN 0.624 nan 8.300 nan 0.000 0.453 372 Y N 1.126 121.570 120.300 0.240 0.000 2.429 372 Y HA 0.738 5.246 4.550 -0.070 0.000 0.342 372 Y C -0.259 175.805 175.900 0.274 0.000 1.004 372 Y CA -0.893 57.340 58.100 0.222 0.000 1.075 372 Y CB 2.357 40.910 38.460 0.155 0.000 1.214 372 Y HN 0.724 nan 8.280 nan 0.000 0.455 373 K N 2.256 122.889 120.400 0.387 0.000 2.546 373 K HA 0.579 4.857 4.320 -0.070 0.000 0.264 373 K C -1.775 174.969 176.600 0.239 0.000 0.937 373 K CA -0.567 55.899 56.287 0.300 0.000 0.833 373 K CB 1.856 34.500 32.500 0.240 0.000 1.378 373 K HN 0.658 nan 8.250 nan 0.000 0.432 374 I N 4.647 125.325 120.570 0.181 0.000 2.365 374 I HA 0.336 4.464 4.170 -0.070 0.000 0.291 374 I C -0.282 175.927 176.117 0.153 0.000 1.004 374 I CA -0.611 60.776 61.300 0.146 0.000 1.311 374 I CB 0.801 38.866 38.000 0.110 0.000 1.401 374 I HN 0.351 nan 8.210 nan 0.000 0.491 375 I N 3.925 124.610 120.570 0.191 0.000 2.894 375 I HA 0.182 4.310 4.170 -0.070 0.000 0.302 375 I C -0.016 176.222 176.117 0.202 0.000 1.188 375 I CA -0.691 60.726 61.300 0.196 0.000 1.014 375 I CB 2.013 40.151 38.000 0.230 0.000 1.242 375 I HN 0.431 nan 8.210 nan 0.000 0.430 376 S N 4.113 119.877 115.700 0.107 0.000 2.510 376 S HA 0.227 4.655 4.470 -0.070 0.000 0.279 376 S C 0.096 174.740 174.600 0.074 0.000 1.284 376 S CA -0.363 57.848 58.200 0.017 0.000 1.059 376 S CB -0.079 63.081 63.200 -0.067 0.000 0.901 376 S HN 0.699 nan 8.310 nan 0.000 0.491 377 N N 3.429 122.080 118.700 -0.082 0.000 2.418 377 N HA 0.150 4.848 4.740 -0.070 0.000 0.283 377 N C 1.046 176.478 175.510 -0.129 0.000 1.267 377 N CA -0.099 52.794 53.050 -0.261 0.000 0.975 377 N CB -0.176 37.790 38.487 -0.869 0.000 1.167 377 N HN 0.772 nan 8.380 nan 0.000 0.581 378 E N -1.082 119.039 120.200 -0.132 0.000 2.219 378 E HA -0.248 4.060 4.350 -0.070 0.000 0.198 378 E C 0.314 176.868 176.600 -0.076 0.000 0.998 378 E CA 1.571 57.929 56.400 -0.070 0.000 0.818 378 E CB -0.330 29.335 29.700 -0.057 0.000 0.741 378 E HN 0.691 nan 8.360 nan 0.000 0.477 379 E N -0.337 119.814 120.200 -0.082 0.000 2.474 379 E HA 0.191 4.499 4.350 -0.070 0.000 0.195 379 E C 0.870 177.394 176.600 -0.126 0.000 1.039 379 E CA 0.505 56.885 56.400 -0.034 0.000 0.881 379 E CB 1.063 30.798 29.700 0.059 0.000 0.970 379 E HN 0.461 nan 8.360 nan 0.000 0.486 380 G N -0.123 108.553 108.800 -0.206 0.000 2.176 380 G HA2 -0.275 3.642 3.960 -0.070 0.000 0.232 380 G HA3 -0.275 3.642 3.960 -0.070 0.000 0.232 380 G C -0.402 174.149 174.900 -0.582 0.000 0.986 380 G CA -0.386 44.469 45.100 -0.408 0.000 0.643 380 G HN 0.239 nan 8.290 nan 0.000 0.522 381 Y N 0.359 120.543 120.300 -0.193 0.000 2.360 381 Y HA 0.672 5.180 4.550 -0.071 0.000 0.337 381 Y C 1.080 176.822 175.900 -0.263 0.000 1.039 381 Y CA -0.908 57.054 58.100 -0.230 0.000 1.109 381 Y CB 1.092 39.424 38.460 -0.214 0.000 1.201 381 Y HN 0.020 nan 8.280 nan 0.000 0.458 382 R N 3.717 124.077 120.500 -0.233 0.000 2.220 382 R HA 0.238 4.536 4.340 -0.070 0.000 0.340 382 R C -0.777 175.230 176.300 -0.487 0.000 1.076 382 R CA -0.119 55.846 56.100 -0.224 0.000 0.920 382 R CB -0.058 30.166 30.300 -0.127 0.000 1.062 382 R HN 0.664 nan 8.270 nan 0.000 0.469 383 H N 1.876 120.914 119.070 -0.052 0.000 2.855 383 H HA 0.362 4.876 4.556 -0.070 0.000 0.363 383 H C -0.000 175.391 175.328 0.106 0.000 1.185 383 H CA -0.948 55.053 56.048 -0.078 0.000 1.174 383 H CB 1.762 31.372 29.762 -0.252 0.000 1.857 383 H HN 0.302 nan 8.280 nan 0.000 0.565 384 I N 1.107 121.771 120.570 0.156 0.000 2.395 384 I HA 0.068 4.196 4.170 -0.070 0.000 0.289 384 I C 0.199 176.377 176.117 0.102 0.000 1.023 384 I CA -0.004 61.348 61.300 0.086 0.000 1.350 384 I CB 0.619 38.585 38.000 -0.057 0.000 1.409 384 I HN 0.184 nan 8.210 nan 0.000 0.507 385 c N 6.963 125.563 118.600 -0.001 0.000 2.417 385 c HA 0.436 4.964 4.570 -0.070 0.000 0.324 385 c C -0.493 173.429 174.090 -0.279 0.000 1.240 385 c CA -0.509 55.592 56.329 -0.379 0.000 1.632 385 c CB 0.904 42.934 42.510 -0.801 0.000 2.241 385 c HN 0.635 nan 8.230 nan 0.000 0.499 386 Y N 4.442 124.366 120.300 -0.626 0.000 2.328 386 Y HA 0.678 5.186 4.550 -0.071 0.000 0.337 386 Y C -1.119 174.273 175.900 -0.848 0.000 1.008 386 Y CA -0.865 56.817 58.100 -0.697 0.000 1.129 386 Y CB 0.368 38.516 38.460 -0.519 0.000 1.185 386 Y HN 0.611 nan 8.280 nan 0.000 0.476 387 F N 4.151 123.330 119.950 -1.286 0.000 2.507 387 F HA 0.495 4.979 4.527 -0.071 0.000 0.325 387 F C -0.456 174.581 175.800 -1.272 0.000 1.116 387 F CA -0.784 56.427 58.000 -1.315 0.000 0.930 387 F CB 1.942 39.799 39.000 -1.905 0.000 1.146 387 F HN 0.376 nan 8.300 nan 0.000 0.447 388 Q N 3.420 122.839 119.800 -0.635 0.000 2.282 388 Q HA 0.448 4.746 4.340 -0.070 0.000 0.260 388 Q C 0.874 176.845 176.000 -0.048 0.000 0.964 388 Q CA -0.679 54.907 55.803 -0.361 0.000 0.880 388 Q CB 2.772 31.332 28.738 -0.296 0.000 1.286 388 Q HN 0.739 nan 8.270 nan 0.000 0.445 389 I N 0.797 121.413 120.570 0.076 0.000 2.286 389 I HA -0.218 3.909 4.170 -0.070 0.000 0.248 389 I C 0.398 176.584 176.117 0.114 0.000 1.115 389 I CA 1.321 62.756 61.300 0.225 0.000 1.392 389 I CB 0.207 38.364 38.000 0.262 0.000 1.065 389 I HN 0.659 nan 8.210 nan 0.000 0.418 390 D N 1.766 122.197 120.400 0.051 0.000 2.738 390 D HA 0.217 4.815 4.640 -0.070 0.000 0.246 390 D C -0.027 176.272 176.300 -0.002 0.000 1.270 390 D CA 0.248 54.252 54.000 0.006 0.000 0.833 390 D CB 0.483 41.285 40.800 0.004 0.000 1.040 390 D HN 0.281 nan 8.370 nan 0.000 0.487 391 K N 0.154 120.565 120.400 0.018 0.000 2.512 391 K HA 0.238 4.516 4.320 -0.070 0.000 0.263 391 K C 1.051 177.680 176.600 0.047 0.000 0.966 391 K CA -0.625 55.666 56.287 0.007 0.000 0.851 391 K CB 2.772 35.257 32.500 -0.026 0.000 1.395 391 K HN -0.176 nan 8.250 nan 0.000 0.440 392 K N 0.051 120.460 120.400 0.015 0.000 1.980 392 K HA -0.015 4.262 4.320 -0.070 0.000 0.208 392 K C 0.564 177.188 176.600 0.040 0.000 1.043 392 K CA 0.730 57.038 56.287 0.034 0.000 0.938 392 K CB -0.087 32.413 32.500 0.000 0.000 0.724 392 K HN 0.362 nan 8.250 nan 0.000 0.438 393 D N 0.535 120.899 120.400 -0.060 0.000 2.301 393 D HA 0.203 4.801 4.640 -0.070 0.000 0.287 393 D C 0.203 176.294 176.300 -0.349 0.000 1.179 393 D CA 0.206 54.120 54.000 -0.143 0.000 1.060 393 D CB 0.763 41.481 40.800 -0.137 0.000 1.135 393 D HN 0.520 nan 8.370 nan 0.000 0.531 394 c N -2.495 115.791 118.600 -0.524 0.000 3.312 394 c HA 0.692 5.220 4.570 -0.070 0.000 0.332 394 c C -1.052 172.638 174.090 -0.666 0.000 1.340 394 c CA -0.691 55.073 56.329 -0.941 0.000 1.265 394 c CB 1.199 42.536 42.510 -1.956 0.000 1.563 394 c HN 0.421 nan 8.230 nan 0.000 0.471 395 T N 2.420 116.607 114.554 -0.610 0.000 2.791 395 T HA 0.521 4.829 4.350 -0.070 0.000 0.288 395 T C -0.727 173.738 174.700 -0.392 0.000 0.999 395 T CA 0.095 62.000 62.100 -0.325 0.000 0.952 395 T CB 0.352 69.169 68.868 -0.084 0.000 0.938 395 T HN 0.477 nan 8.240 nan 0.000 0.444 396 F N 3.834 123.635 119.950 -0.248 0.000 2.541 396 F HA 0.216 4.701 4.527 -0.071 0.000 0.378 396 F C 1.602 177.203 175.800 -0.332 0.000 1.068 396 F CA -0.931 56.915 58.000 -0.256 0.000 1.199 396 F CB 0.275 39.143 39.000 -0.220 0.000 1.091 396 F HN 0.582 nan 8.300 nan 0.000 0.555 397 I N -0.467 119.976 120.570 -0.212 0.000 3.854 397 I HA 0.197 4.324 4.170 -0.070 0.000 0.312 397 I C 0.416 176.371 176.117 -0.270 0.000 1.273 397 I CA 0.114 61.094 61.300 -0.533 0.000 1.298 397 I CB 0.097 37.514 38.000 -0.971 0.000 1.071 397 I HN 0.457 nan 8.210 nan 0.000 0.428 398 T N 0.544 114.995 114.554 -0.172 0.000 2.932 398 T HA 0.691 4.999 4.350 -0.070 0.000 0.289 398 T C -0.540 173.787 174.700 -0.622 0.000 1.039 398 T CA -0.690 61.292 62.100 -0.197 0.000 1.024 398 T CB 2.534 71.391 68.868 -0.017 0.000 1.090 398 T HN 0.484 nan 8.240 nan 0.000 0.496 399 K N -0.287 119.627 120.400 -0.810 0.000 2.548 399 K HA 0.813 5.090 4.320 -0.070 0.000 0.282 399 K C -0.471 175.518 176.600 -1.019 0.000 1.006 399 K CA -1.095 54.392 56.287 -1.335 0.000 0.892 399 K CB 1.483 33.552 32.500 -0.719 0.000 1.499 399 K HN 1.454 nan 8.250 nan 0.000 0.433 400 G N -0.309 107.924 108.800 -0.945 0.000 2.351 400 G HA2 0.038 3.956 3.960 -0.070 0.000 0.353 400 G HA3 0.038 3.956 3.960 -0.070 0.000 0.353 400 G C -1.021 173.317 174.900 -0.936 0.000 1.358 400 G CA -0.723 43.967 45.100 -0.684 0.000 0.995 400 G HN 0.428 nan 8.290 nan 0.000 0.611 401 T N 2.434 116.585 114.554 -0.671 0.000 4.099 401 T HA 0.454 4.761 4.350 -0.070 0.000 0.223 401 T C -0.138 174.307 174.700 -0.425 0.000 0.968 401 T CA 0.736 62.280 62.100 -0.928 0.000 0.966 401 T CB -1.141 67.445 68.868 -0.470 0.000 1.328 401 T HN 0.650 nan 8.240 nan 0.000 0.783 402 W N -0.284 120.823 121.300 -0.321 0.000 2.959 402 W HA 0.580 5.197 4.660 -0.070 0.000 0.358 402 W C -1.233 175.276 176.519 -0.018 0.000 1.228 402 W CA -1.020 56.291 57.345 -0.056 0.000 1.183 402 W CB 0.834 30.267 29.460 -0.045 0.000 1.467 402 W HN -0.063 nan 8.180 nan 0.000 0.578 403 E N 1.022 121.393 120.200 0.284 0.000 2.238 403 E HA 0.418 4.725 4.350 -0.070 0.000 0.267 403 E C -0.851 175.877 176.600 0.212 0.000 0.887 403 E CA -1.168 55.254 56.400 0.036 0.000 0.769 403 E CB 3.405 33.166 29.700 0.102 0.000 1.187 403 E HN 0.157 nan 8.360 nan 0.000 0.416 404 V N 4.242 124.155 119.914 -0.003 0.000 2.521 404 V HA -0.045 4.033 4.120 -0.070 0.000 0.286 404 V C 1.275 177.464 176.094 0.158 0.000 1.034 404 V CA 0.199 62.578 62.300 0.132 0.000 1.045 404 V CB 0.303 32.102 31.823 -0.039 0.000 0.974 404 V HN 0.685 nan 8.190 nan 0.000 0.480 405 I N 3.257 123.950 120.570 0.206 0.000 2.385 405 I HA 0.277 4.404 4.170 -0.070 0.000 0.244 405 I C 1.133 177.366 176.117 0.195 0.000 1.089 405 I CA 1.224 62.644 61.300 0.199 0.000 1.410 405 I CB -0.827 37.234 38.000 0.102 0.000 1.117 405 I HN 0.741 nan 8.210 nan 0.000 0.429 406 G N 0.622 109.533 108.800 0.184 0.000 2.703 406 G HA2 0.577 4.495 3.960 -0.070 0.000 0.294 406 G HA3 0.577 4.495 3.960 -0.070 0.000 0.294 406 G C -1.238 173.752 174.900 0.152 0.000 1.451 406 G CA -0.528 44.673 45.100 0.168 0.000 0.869 406 G HN -0.034 nan 8.290 nan 0.000 0.516 407 I N 1.319 121.913 120.570 0.041 0.000 2.365 407 I HA 0.275 4.403 4.170 -0.070 0.000 0.291 407 I C 0.592 176.667 176.117 -0.070 0.000 1.004 407 I CA -0.538 60.712 61.300 -0.084 0.000 1.311 407 I CB 1.788 39.518 38.000 -0.450 0.000 1.401 407 I HN 0.482 nan 8.210 nan 0.000 0.491 408 E N 4.513 124.732 120.200 0.032 0.000 2.372 408 E HA 0.368 4.675 4.350 -0.070 0.000 0.201 408 E C 0.014 176.575 176.600 -0.064 0.000 0.938 408 E CA 0.174 56.649 56.400 0.126 0.000 0.944 408 E CB 1.077 30.966 29.700 0.315 0.000 0.937 408 E HN 0.693 nan 8.360 nan 0.000 0.495 409 A N 0.566 123.239 122.820 -0.245 0.000 2.599 409 A HA 0.603 4.881 4.320 -0.070 0.000 0.294 409 A C -2.053 175.456 177.584 -0.125 0.000 1.055 409 A CA -0.635 51.179 52.037 -0.371 0.000 0.683 409 A CB 1.159 19.398 19.000 -1.269 0.000 1.278 409 A HN 0.031 nan 8.150 nan 0.000 0.412 410 L N 1.429 122.620 121.223 -0.054 0.000 2.439 410 L HA 0.805 5.103 4.340 -0.070 0.000 0.270 410 L C 0.135 177.034 176.870 0.047 0.000 0.972 410 L CA 0.586 55.424 54.840 -0.003 0.000 0.836 410 L CB 2.052 44.136 42.059 0.042 0.000 1.255 410 L HN 1.285 nan 8.230 nan 0.000 0.404 411 T N -0.367 114.230 114.554 0.071 0.000 2.883 411 T HA 0.446 4.753 4.350 -0.070 0.000 0.284 411 T C 0.994 175.734 174.700 0.066 0.000 1.041 411 T CA 0.100 62.254 62.100 0.090 0.000 1.007 411 T CB 1.189 70.143 68.868 0.144 0.000 1.220 411 T HN 0.571 nan 8.240 nan 0.000 0.552 412 S N 0.072 115.809 115.700 0.061 0.000 2.442 412 S HA -0.083 4.345 4.470 -0.070 0.000 0.236 412 S C 0.787 175.369 174.600 -0.031 0.000 1.007 412 S CA 1.403 59.624 58.200 0.036 0.000 0.965 412 S CB -0.704 62.518 63.200 0.037 0.000 0.773 412 S HN 0.857 nan 8.310 nan 0.000 0.504 413 D N -1.185 119.173 120.400 -0.070 0.000 2.422 413 D HA 0.231 4.828 4.640 -0.070 0.000 0.218 413 D C -0.357 175.612 176.300 -0.551 0.000 1.047 413 D CA 0.210 54.030 54.000 -0.300 0.000 0.885 413 D CB 0.031 40.633 40.800 -0.332 0.000 1.035 413 D HN 0.426 nan 8.370 nan 0.000 0.502 414 Y N -0.012 120.205 120.300 -0.137 0.000 2.524 414 Y HA 0.477 4.985 4.550 -0.070 0.000 0.347 414 Y C -0.961 174.739 175.900 -0.333 0.000 1.005 414 Y CA -1.232 56.694 58.100 -0.290 0.000 1.025 414 Y CB 2.242 40.402 38.460 -0.500 0.000 1.275 414 Y HN -0.176 nan 8.280 nan 0.000 0.460 415 L N 3.272 124.374 121.223 -0.202 0.000 2.313 415 L HA 0.590 4.887 4.340 -0.070 0.000 0.283 415 L C -1.781 174.959 176.870 -0.217 0.000 1.013 415 L CA -0.710 53.997 54.840 -0.223 0.000 0.816 415 L CB 0.776 42.639 42.059 -0.328 0.000 1.236 415 L HN 0.618 nan 8.230 nan 0.000 0.419 416 Y N 5.297 125.532 120.300 -0.107 0.000 2.335 416 Y HA 0.436 4.945 4.550 -0.069 0.000 0.339 416 Y C -0.350 175.561 175.900 0.019 0.000 0.987 416 Y CA -0.397 57.636 58.100 -0.111 0.000 1.140 416 Y CB 0.790 39.083 38.460 -0.278 0.000 1.173 416 Y HN 0.511 nan 8.280 nan 0.000 0.486 417 Y N 0.440 120.801 120.300 0.102 0.000 2.605 417 Y HA 0.849 5.356 4.550 -0.070 0.000 0.343 417 Y C -1.502 174.488 175.900 0.150 0.000 1.036 417 Y CA -2.118 56.038 58.100 0.093 0.000 1.065 417 Y CB 1.245 39.733 38.460 0.047 0.000 1.288 417 Y HN 0.401 nan 8.280 nan 0.000 0.481 418 I N 2.921 123.654 120.570 0.273 0.000 2.404 418 I HA 0.572 4.700 4.170 -0.070 0.000 0.293 418 I C -0.356 175.932 176.117 0.286 0.000 0.992 418 I CA -0.266 61.141 61.300 0.179 0.000 1.149 418 I CB 1.783 39.845 38.000 0.103 0.000 1.315 418 I HN 0.887 nan 8.210 nan 0.000 0.446 419 S N 3.582 119.425 115.700 0.237 0.000 2.685 419 S HA 0.438 4.865 4.470 -0.070 0.000 0.282 419 S C -0.477 174.183 174.600 0.100 0.000 1.159 419 S CA -0.837 57.485 58.200 0.204 0.000 0.833 419 S CB 1.655 64.992 63.200 0.228 0.000 1.151 419 S HN 0.624 nan 8.310 nan 0.000 0.485 420 N N -0.348 118.410 118.700 0.096 0.000 2.380 420 N HA 0.150 4.848 4.740 -0.070 0.000 0.255 420 N C 0.535 176.041 175.510 -0.008 0.000 1.158 420 N CA -0.283 52.789 53.050 0.036 0.000 0.878 420 N CB 0.243 38.742 38.487 0.020 0.000 1.138 420 N HN 0.814 nan 8.380 nan 0.000 0.509 421 E N -0.178 119.886 120.200 -0.225 0.000 2.110 421 E HA -0.206 4.102 4.350 -0.070 0.000 0.193 421 E C -0.360 176.116 176.600 -0.206 0.000 0.988 421 E CA 0.350 56.391 56.400 -0.597 0.000 0.804 421 E CB -0.066 28.720 29.700 -1.523 0.000 0.745 421 E HN 0.411 nan 8.360 nan 0.000 0.458 422 Y N 2.039 122.252 120.300 -0.145 0.000 2.805 422 Y HA -0.122 4.387 4.550 -0.070 0.000 0.331 422 Y C 0.498 176.370 175.900 -0.047 0.000 1.241 422 Y CA 0.661 58.724 58.100 -0.063 0.000 1.546 422 Y CB 0.115 38.563 38.460 -0.019 0.000 1.248 422 Y HN 0.058 nan 8.280 nan 0.000 0.559 423 K N 3.634 123.743 120.400 -0.486 0.000 3.193 423 K HA -0.255 4.023 4.320 -0.070 0.000 0.294 423 K C 0.886 177.416 176.600 -0.117 0.000 1.185 423 K CA 0.829 56.884 56.287 -0.385 0.000 0.866 423 K CB -1.713 30.471 32.500 -0.527 0.000 1.227 423 K HN 1.276 nan 8.250 nan 0.000 0.467 424 G N 0.859 109.617 108.800 -0.070 0.000 2.296 424 G HA2 -0.330 3.588 3.960 -0.070 0.000 0.282 424 G HA3 -0.330 3.588 3.960 -0.070 0.000 0.282 424 G C 0.095 174.984 174.900 -0.018 0.000 1.014 424 G CA 0.939 46.047 45.100 0.012 0.000 0.812 424 G HN 0.368 nan 8.290 nan 0.000 0.508 425 M N 0.179 119.692 119.600 -0.145 0.000 2.151 425 M HA 0.207 4.645 4.480 -0.070 0.000 0.349 425 M C -1.230 174.807 176.300 -0.440 0.000 1.284 425 M CA -1.889 53.137 55.300 -0.456 0.000 1.173 425 M CB 1.291 33.705 32.600 -0.310 0.000 1.469 425 M HN -0.142 nan 8.290 nan 0.000 0.439 426 P HA -0.103 nan 4.420 nan 0.000 0.223 426 P C 1.137 178.309 177.300 -0.215 0.000 1.144 426 P CA 1.079 64.002 63.100 -0.296 0.000 0.783 426 P CB 0.141 31.660 31.700 -0.301 0.000 0.771 427 G N -1.255 107.360 108.800 -0.307 0.000 3.337 427 G HA2 0.319 4.236 3.960 -0.070 0.000 0.246 427 G HA3 0.319 4.236 3.960 -0.070 0.000 0.246 427 G C 0.600 175.539 174.900 0.066 0.000 1.131 427 G CA 0.047 45.095 45.100 -0.086 0.000 0.773 427 G HN 0.382 nan 8.290 nan 0.000 0.544 428 G N -0.058 108.725 108.800 -0.028 0.000 2.434 428 G HA2 0.653 4.571 3.960 -0.070 0.000 0.330 428 G HA3 0.653 4.571 3.960 -0.070 0.000 0.330 428 G C -0.781 174.053 174.900 -0.110 0.000 1.155 428 G CA -0.726 44.394 45.100 0.033 0.000 0.917 428 G HN 0.100 nan 8.290 nan 0.000 0.493 429 R N 0.978 121.371 120.500 -0.178 0.000 2.548 429 R HA 0.408 4.705 4.340 -0.070 0.000 0.280 429 R C -1.421 174.852 176.300 -0.045 0.000 1.061 429 R CA -0.813 55.136 56.100 -0.253 0.000 0.915 429 R CB 2.209 32.106 30.300 -0.672 0.000 1.210 429 R HN 0.596 nan 8.270 nan 0.000 0.442 430 N N 1.596 120.288 118.700 -0.014 0.000 2.277 430 N HA 0.308 5.005 4.740 -0.070 0.000 0.286 430 N C -1.342 174.043 175.510 -0.207 0.000 1.140 430 N CA -0.803 52.158 53.050 -0.148 0.000 0.799 430 N CB 2.729 41.044 38.487 -0.288 0.000 1.596 430 N HN 0.261 nan 8.380 nan 0.000 0.473 431 L N 2.270 123.229 121.223 -0.440 0.000 2.305 431 L HA 0.460 4.758 4.340 -0.070 0.000 0.281 431 L C -1.319 175.178 176.870 -0.622 0.000 1.085 431 L CA 0.133 54.743 54.840 -0.384 0.000 0.813 431 L CB -0.129 41.690 42.059 -0.400 0.000 1.157 431 L HN 0.421 nan 8.230 nan 0.000 0.436 432 Y N 3.391 123.356 120.300 -0.558 0.000 2.570 432 Y HA 0.594 5.103 4.550 -0.070 0.000 0.345 432 Y C -0.428 175.135 175.900 -0.563 0.000 1.014 432 Y CA -0.893 56.821 58.100 -0.644 0.000 1.063 432 Y CB 1.691 39.531 38.460 -1.034 0.000 1.272 432 Y HN 0.542 nan 8.280 nan 0.000 0.477 433 K N 1.718 121.966 120.400 -0.253 0.000 2.371 433 K HA 0.789 5.067 4.320 -0.070 0.000 0.251 433 K C -1.879 174.709 176.600 -0.019 0.000 0.934 433 K CA -0.766 55.338 56.287 -0.305 0.000 0.798 433 K CB 2.844 34.934 32.500 -0.684 0.000 1.204 433 K HN 0.719 nan 8.250 nan 0.000 0.427 434 I N 1.603 122.229 120.570 0.093 0.000 2.465 434 I HA 0.139 4.267 4.170 -0.070 0.000 0.291 434 I C -0.698 175.516 176.117 0.163 0.000 1.014 434 I CA -0.660 60.753 61.300 0.188 0.000 1.093 434 I CB 2.076 40.219 38.000 0.239 0.000 1.267 434 I HN 0.790 nan 8.210 nan 0.000 0.431 435 Q N 6.207 126.080 119.800 0.122 0.000 2.293 435 Q HA 0.223 4.521 4.340 -0.070 0.000 0.263 435 Q C 0.176 176.099 176.000 -0.129 0.000 1.002 435 Q CA -0.165 55.539 55.803 -0.166 0.000 0.910 435 Q CB 1.122 29.782 28.738 -0.131 0.000 1.185 435 Q HN 0.834 nan 8.270 nan 0.000 0.401 436 L N 2.450 123.539 121.223 -0.224 0.000 2.217 436 L HA -0.108 4.189 4.340 -0.070 0.000 0.211 436 L C 1.876 178.595 176.870 -0.251 0.000 1.107 436 L CA 0.579 55.354 54.840 -0.110 0.000 0.783 436 L CB -0.053 41.934 42.059 -0.121 0.000 0.919 436 L HN 0.598 nan 8.230 nan 0.000 0.442 437 S N -1.443 114.089 115.700 -0.280 0.000 2.522 437 S HA -0.056 4.371 4.470 -0.070 0.000 0.227 437 S C 0.261 174.666 174.600 -0.325 0.000 0.986 437 S CA 0.576 58.604 58.200 -0.288 0.000 0.929 437 S CB -0.101 62.971 63.200 -0.214 0.000 0.769 437 S HN 0.342 nan 8.310 nan 0.000 0.529 438 D N -0.684 119.528 120.400 -0.312 0.000 2.312 438 D HA 0.173 4.770 4.640 -0.070 0.000 0.229 438 D C -0.178 176.057 176.300 -0.109 0.000 1.337 438 D CA -0.482 53.362 54.000 -0.260 0.000 0.964 438 D CB -0.060 40.653 40.800 -0.145 0.000 1.456 438 D HN -0.122 nan 8.370 nan 0.000 0.547 439 Y N 1.012 121.286 120.300 -0.042 0.000 2.384 439 Y HA -0.163 4.344 4.550 -0.071 0.000 0.289 439 Y C 2.605 178.509 175.900 0.008 0.000 1.152 439 Y CA 1.719 59.808 58.100 -0.019 0.000 1.258 439 Y CB -1.050 37.395 38.460 -0.024 0.000 0.979 439 Y HN 0.472 nan 8.280 nan 0.000 0.549 440 T N -2.297 112.336 114.554 0.131 0.000 3.035 440 T HA -0.058 4.250 4.350 -0.070 0.000 0.268 440 T C 0.711 175.459 174.700 0.081 0.000 1.109 440 T CA 0.315 62.469 62.100 0.090 0.000 1.119 440 T CB -0.276 68.621 68.868 0.049 0.000 0.900 440 T HN 0.163 nan 8.240 nan 0.000 0.503 441 K N 2.228 122.675 120.400 0.078 0.000 2.184 441 K HA 0.457 4.735 4.320 -0.070 0.000 0.259 441 K C -1.156 175.512 176.600 0.114 0.000 1.119 441 K CA -0.373 55.961 56.287 0.077 0.000 0.991 441 K CB 1.010 33.542 32.500 0.054 0.000 1.522 441 K HN 0.145 nan 8.250 nan 0.000 0.405 442 V N 2.414 122.397 119.914 0.114 0.000 2.394 442 V HA 0.214 4.292 4.120 -0.070 0.000 0.282 442 V C 0.276 176.423 176.094 0.089 0.000 1.031 442 V CA -0.785 61.594 62.300 0.132 0.000 0.881 442 V CB 1.328 33.251 31.823 0.167 0.000 0.982 442 V HN 0.674 nan 8.190 nan 0.000 0.451 443 T N 1.109 115.686 114.554 0.039 0.000 2.770 443 T HA 0.324 4.631 4.350 -0.070 0.000 0.283 443 T C -0.261 174.351 174.700 -0.145 0.000 0.988 443 T CA -0.522 61.550 62.100 -0.047 0.000 0.957 443 T CB 0.935 69.749 68.868 -0.089 0.000 0.930 443 T HN 0.646 nan 8.240 nan 0.000 0.443 444 C N 4.771 123.929 119.300 -0.236 0.000 2.629 444 C HA 0.367 4.784 4.460 -0.070 0.000 0.410 444 C C 1.519 176.190 174.990 -0.531 0.000 1.339 444 C CA -0.488 58.127 59.018 -0.672 0.000 1.810 444 C CB -1.751 25.534 27.740 -0.758 0.000 2.549 444 C HN 1.035 nan 8.230 nan 0.000 0.589 445 L N 4.547 125.407 121.223 -0.605 0.000 2.616 445 L HA 0.120 4.418 4.340 -0.070 0.000 0.229 445 L C 1.968 178.536 176.870 -0.504 0.000 1.110 445 L CA 0.622 55.203 54.840 -0.432 0.000 0.884 445 L CB -0.013 41.842 42.059 -0.341 0.000 1.115 445 L HN 0.888 nan 8.230 nan 0.000 0.481 446 S N -3.409 111.881 115.700 -0.683 0.000 2.663 446 S HA -0.040 4.388 4.470 -0.070 0.000 0.247 446 S C 1.787 175.999 174.600 -0.646 0.000 1.074 446 S CA 0.051 57.753 58.200 -0.831 0.000 0.955 446 S CB -0.285 62.053 63.200 -1.437 0.000 0.901 446 S HN 0.266 nan 8.310 nan 0.000 0.505 447 C N 2.405 121.301 119.300 -0.673 0.000 2.382 447 C HA -0.059 4.358 4.460 -0.070 0.000 0.274 447 C C 2.167 176.888 174.990 -0.449 0.000 1.180 447 C CA 1.297 59.864 59.018 -0.753 0.000 1.799 447 C CB -0.918 26.123 27.740 -1.165 0.000 2.094 447 C HN 0.609 nan 8.230 nan 0.000 0.468 448 E N -0.562 119.452 120.200 -0.311 0.000 2.660 448 E HA 0.219 4.526 4.350 -0.070 0.000 0.216 448 E C 1.661 178.209 176.600 -0.087 0.000 0.986 448 E CA -0.142 56.170 56.400 -0.147 0.000 1.037 448 E CB 0.093 29.721 29.700 -0.119 0.000 1.041 448 E HN 0.632 nan 8.360 nan 0.000 0.480 449 L N 0.567 121.735 121.223 -0.092 0.000 2.042 449 L HA -0.101 4.196 4.340 -0.070 0.000 0.210 449 L C 1.111 177.991 176.870 0.017 0.000 1.076 449 L CA 1.097 55.922 54.840 -0.024 0.000 0.749 449 L CB -0.003 42.059 42.059 0.006 0.000 0.893 449 L HN 0.010 nan 8.230 nan 0.000 0.432 450 N N -1.566 117.160 118.700 0.043 0.000 2.946 450 N HA 0.090 4.788 4.740 -0.070 0.000 0.213 450 N C -2.134 173.398 175.510 0.038 0.000 1.440 450 N CA -0.988 52.080 53.050 0.031 0.000 0.745 450 N CB 0.816 39.313 38.487 0.017 0.000 1.471 450 N HN -0.195 nan 8.380 nan 0.000 0.569 451 P HA -0.111 nan 4.420 nan 0.000 0.216 451 P C 0.503 177.843 177.300 0.066 0.000 1.150 451 P CA 1.357 64.504 63.100 0.079 0.000 0.837 451 P CB 0.672 32.432 31.700 0.100 0.000 0.786 452 E N -0.218 120.004 120.200 0.035 0.000 2.107 452 E HA -0.103 4.204 4.350 -0.070 0.000 0.191 452 E C 2.334 178.934 176.600 -0.000 0.000 0.982 452 E CA 0.827 57.239 56.400 0.020 0.000 0.809 452 E CB -0.511 29.194 29.700 0.007 0.000 0.756 452 E HN 0.221 nan 8.360 nan 0.000 0.459 453 R N -0.503 119.987 120.500 -0.017 0.000 2.173 453 R HA 0.159 4.456 4.340 -0.070 0.000 0.208 453 R C -0.311 175.941 176.300 -0.080 0.000 1.035 453 R CA 0.543 56.612 56.100 -0.052 0.000 1.004 453 R CB 0.327 30.588 30.300 -0.064 0.000 0.917 453 R HN 0.110 nan 8.270 nan 0.000 0.462 454 c N 0.912 119.472 118.600 -0.067 0.000 2.346 454 c HA 0.426 4.954 4.570 -0.070 0.000 0.326 454 c C -0.207 173.844 174.090 -0.065 0.000 1.224 454 c CA -0.618 55.615 56.329 -0.160 0.000 1.408 454 c CB 1.493 43.893 42.510 -0.184 0.000 2.089 454 c HN 0.559 nan 8.230 nan 0.000 0.456 455 Q N 0.865 120.614 119.800 -0.086 0.000 1.988 455 Q HA 0.165 4.463 4.340 -0.070 0.000 0.199 455 Q C -1.094 174.964 176.000 0.098 0.000 0.767 455 Q CA 0.027 55.876 55.803 0.077 0.000 0.966 455 Q CB 1.386 30.192 28.738 0.113 0.000 1.219 455 Q HN 0.798 nan 8.270 nan 0.000 0.432 456 Y N 0.418 120.596 120.300 -0.204 0.000 2.422 456 Y HA 0.346 4.853 4.550 -0.071 0.000 0.344 456 Y C -1.692 174.074 175.900 -0.222 0.000 1.097 456 Y CA -0.852 57.169 58.100 -0.131 0.000 1.307 456 Y CB 0.673 39.068 38.460 -0.109 0.000 1.102 456 Y HN -0.050 nan 8.280 nan 0.000 0.520 457 Y N 2.305 122.522 120.300 -0.138 0.000 2.387 457 Y HA 0.618 5.125 4.550 -0.071 0.000 0.330 457 Y C 0.572 176.406 175.900 -0.111 0.000 1.133 457 Y CA -0.279 57.757 58.100 -0.106 0.000 1.152 457 Y CB 1.942 40.315 38.460 -0.144 0.000 1.215 457 Y HN 0.526 nan 8.280 nan 0.000 0.466 458 S N 1.084 116.862 115.700 0.130 0.000 2.751 458 S HA 0.892 5.320 4.470 -0.070 0.000 0.310 458 S C -1.221 173.440 174.600 0.102 0.000 1.128 458 S CA -0.797 57.463 58.200 0.100 0.000 0.931 458 S CB 1.907 65.178 63.200 0.118 0.000 1.177 458 S HN 0.599 nan 8.310 nan 0.000 0.530 459 V N -0.231 119.734 119.914 0.085 0.000 3.178 459 V HA 0.834 4.912 4.120 -0.070 0.000 0.302 459 V C -1.584 174.549 176.094 0.066 0.000 1.262 459 V CA -0.150 62.159 62.300 0.015 0.000 1.030 459 V CB 2.194 33.928 31.823 -0.148 0.000 1.074 459 V HN 1.244 nan 8.190 nan 0.000 0.438 460 S N 4.133 119.857 115.700 0.040 0.000 2.776 460 S HA 0.680 5.108 4.470 -0.070 0.000 0.284 460 S C -1.343 173.342 174.600 0.143 0.000 1.160 460 S CA -0.358 57.962 58.200 0.200 0.000 1.051 460 S CB 0.608 64.001 63.200 0.322 0.000 1.037 460 S HN 0.533 nan 8.310 nan 0.000 0.485 461 F N 3.417 123.423 119.950 0.093 0.000 2.384 461 F HA 0.437 4.922 4.527 -0.070 0.000 0.338 461 F C 1.448 176.892 175.800 -0.593 0.000 1.103 461 F CA -0.114 57.788 58.000 -0.164 0.000 1.157 461 F CB 1.487 40.377 39.000 -0.184 0.000 1.167 461 F HN 0.669 nan 8.300 nan 0.000 0.529 462 S N 2.384 117.524 115.700 -0.933 0.000 2.626 462 S HA 0.278 4.706 4.470 -0.070 0.000 0.257 462 S C -0.337 174.049 174.600 -0.356 0.000 1.288 462 S CA -1.017 56.403 58.200 -1.301 0.000 0.980 462 S CB 0.314 62.732 63.200 -1.304 0.000 0.975 462 S HN 0.529 nan 8.310 nan 0.000 0.577 463 K N 1.227 121.542 120.400 -0.140 0.000 2.416 463 K HA 0.119 4.396 4.320 -0.070 0.000 0.283 463 K C 0.240 176.840 176.600 -0.001 0.000 1.037 463 K CA 0.144 56.436 56.287 0.008 0.000 0.995 463 K CB 0.056 32.611 32.500 0.092 0.000 0.938 463 K HN 0.732 nan 8.250 nan 0.000 0.475 464 E N 0.991 121.196 120.200 0.008 0.000 3.916 464 E HA -0.312 3.996 4.350 -0.070 0.000 0.331 464 E C -0.019 176.557 176.600 -0.040 0.000 0.729 464 E CA 0.691 57.091 56.400 0.001 0.000 1.222 464 E CB -1.165 28.545 29.700 0.016 0.000 1.633 464 E HN 0.959 nan 8.360 nan 0.000 0.437 465 A N -0.323 122.455 122.820 -0.070 0.000 2.860 465 A HA -0.349 3.929 4.320 -0.070 0.000 0.267 465 A C 1.199 178.746 177.584 -0.063 0.000 1.421 465 A CA 2.196 54.192 52.037 -0.068 0.000 0.831 465 A CB -1.885 16.931 19.000 -0.306 0.000 1.041 465 A HN 0.361 nan 8.150 nan 0.000 0.623 466 K N -1.928 118.394 120.400 -0.130 0.000 2.097 466 K HA -0.034 4.243 4.320 -0.070 0.000 0.206 466 K C 0.107 176.340 176.600 -0.611 0.000 1.049 466 K CA 1.818 57.903 56.287 -0.337 0.000 0.933 466 K CB -0.068 32.242 32.500 -0.316 0.000 0.717 466 K HN 0.719 nan 8.250 nan 0.000 0.442 467 Y N -1.195 119.068 120.300 -0.062 0.000 2.545 467 Y HA 0.306 4.817 4.550 -0.064 0.000 0.348 467 Y C -0.890 174.974 175.900 -0.060 0.000 1.002 467 Y CA -1.453 56.613 58.100 -0.057 0.000 1.039 467 Y CB 1.644 40.096 38.460 -0.014 0.000 1.271 467 Y HN -0.049 nan 8.280 nan 0.000 0.467 468 Y N -0.948 119.357 120.300 0.009 0.000 2.504 468 Y HA 0.512 5.020 4.550 -0.069 0.000 0.344 468 Y C -1.016 174.916 175.900 0.053 0.000 1.023 468 Y CA -1.551 56.415 58.100 -0.223 0.000 1.020 468 Y CB 1.424 39.274 38.460 -1.018 0.000 1.282 468 Y HN 0.607 nan 8.280 nan 0.000 0.454 469 Q N 4.106 124.042 119.800 0.227 0.000 2.294 469 Q HA 0.458 4.756 4.340 -0.070 0.000 0.257 469 Q C -1.508 174.590 176.000 0.165 0.000 0.955 469 Q CA -0.499 55.404 55.803 0.166 0.000 0.936 469 Q CB 0.923 29.736 28.738 0.125 0.000 1.188 469 Q HN 0.956 nan 8.270 nan 0.000 0.420 470 L N 4.222 125.571 121.223 0.211 0.000 2.334 470 L HA 0.496 4.794 4.340 -0.070 0.000 0.277 470 L C -0.025 176.941 176.870 0.160 0.000 1.075 470 L CA -0.430 54.519 54.840 0.182 0.000 0.804 470 L CB 1.280 43.441 42.059 0.170 0.000 1.174 470 L HN 0.599 nan 8.230 nan 0.000 0.438 471 R N 3.284 123.857 120.500 0.121 0.000 2.435 471 R HA 0.424 4.722 4.340 -0.070 0.000 0.308 471 R C -0.897 175.295 176.300 -0.179 0.000 0.975 471 R CA -0.579 55.453 56.100 -0.113 0.000 0.867 471 R CB 1.210 31.514 30.300 0.006 0.000 1.171 471 R HN 0.778 nan 8.270 nan 0.000 0.470 472 c N 2.577 120.941 118.600 -0.393 0.000 2.365 472 c HA 0.600 5.128 4.570 -0.070 0.000 0.351 472 c C 0.576 174.456 174.090 -0.350 0.000 1.240 472 c CA -0.430 55.584 56.329 -0.524 0.000 2.062 472 c CB 1.568 43.506 42.510 -0.953 0.000 2.387 472 c HN 0.918 nan 8.230 nan 0.000 0.537 473 S N 2.067 117.656 115.700 -0.185 0.000 2.559 473 S HA 0.588 5.016 4.470 -0.070 0.000 0.226 473 S C 0.587 175.149 174.600 -0.062 0.000 1.000 473 S CA 0.399 58.546 58.200 -0.088 0.000 0.948 473 S CB 0.268 63.459 63.200 -0.015 0.000 0.870 473 S HN 1.589 nan 8.310 nan 0.000 0.497 474 G N 1.730 110.473 108.800 -0.095 0.000 2.316 474 G HA2 0.325 4.243 3.960 -0.070 0.000 0.296 474 G HA3 0.325 4.243 3.960 -0.070 0.000 0.296 474 G C -3.101 171.769 174.900 -0.051 0.000 1.399 474 G CA -0.682 44.395 45.100 -0.038 0.000 0.833 474 G HN -0.181 nan 8.290 nan 0.000 0.565 475 P HA 0.170 nan 4.420 nan 0.000 0.245 475 P C 1.292 178.613 177.300 0.036 0.000 1.206 475 P CA 1.084 64.203 63.100 0.031 0.000 0.781 475 P CB 0.461 32.175 31.700 0.023 0.000 0.994 476 G N 0.491 109.250 108.800 -0.068 0.000 2.553 476 G HA2 0.361 4.279 3.960 -0.070 0.000 0.278 476 G HA3 0.361 4.279 3.960 -0.070 0.000 0.278 476 G C -0.249 174.426 174.900 -0.376 0.000 1.349 476 G CA -0.680 44.316 45.100 -0.173 0.000 1.037 476 G HN 0.053 nan 8.290 nan 0.000 0.508 477 L N 1.102 122.023 121.223 -0.503 0.000 2.461 477 L HA 0.174 4.471 4.340 -0.070 0.000 0.272 477 L C -1.790 174.881 176.870 -0.332 0.000 1.197 477 L CA -1.328 53.142 54.840 -0.617 0.000 0.836 477 L CB 0.651 42.434 42.059 -0.459 0.000 1.105 477 L HN 0.254 nan 8.230 nan 0.000 0.477 478 P HA 0.063 nan 4.420 nan 0.000 0.266 478 P C -0.926 176.236 177.300 -0.230 0.000 1.193 478 P CA 0.158 63.115 63.100 -0.237 0.000 0.770 478 P CB 0.542 32.163 31.700 -0.132 0.000 0.836 479 L N 3.407 124.402 121.223 -0.381 0.000 2.470 479 L HA 0.434 4.732 4.340 -0.070 0.000 0.268 479 L C -1.501 175.137 176.870 -0.387 0.000 0.964 479 L CA -0.799 53.895 54.840 -0.243 0.000 0.839 479 L CB 1.299 43.264 42.059 -0.157 0.000 1.276 479 L HN 0.348 nan 8.230 nan 0.000 0.403 480 Y N 2.284 122.546 120.300 -0.063 0.000 2.328 480 Y HA 0.540 5.050 4.550 -0.067 0.000 0.337 480 Y C 0.440 176.241 175.900 -0.165 0.000 0.966 480 Y CA -0.466 57.581 58.100 -0.087 0.000 1.136 480 Y CB 2.177 40.571 38.460 -0.111 0.000 1.170 480 Y HN 0.511 nan 8.280 nan 0.000 0.470 481 T N 1.690 116.247 114.554 0.004 0.000 2.906 481 T HA 0.650 4.958 4.350 -0.070 0.000 0.295 481 T C -1.232 173.346 174.700 -0.204 0.000 1.061 481 T CA -0.922 61.095 62.100 -0.138 0.000 1.000 481 T CB 1.716 70.525 68.868 -0.099 0.000 1.103 481 T HN 0.520 nan 8.240 nan 0.000 0.486 482 L N 1.729 122.706 121.223 -0.409 0.000 2.325 482 L HA 0.654 4.951 4.340 -0.070 0.000 0.278 482 L C -1.015 175.485 176.870 -0.617 0.000 1.023 482 L CA -0.791 53.858 54.840 -0.319 0.000 0.811 482 L CB 1.516 43.458 42.059 -0.195 0.000 1.249 482 L HN 0.904 nan 8.230 nan 0.000 0.431 483 H N 0.536 119.403 119.070 -0.339 0.000 2.961 483 H HA 0.334 4.848 4.556 -0.069 0.000 0.371 483 H C -0.948 174.159 175.328 -0.368 0.000 1.190 483 H CA -0.450 55.296 56.048 -0.504 0.000 1.138 483 H CB 2.154 31.253 29.762 -1.104 0.000 1.816 483 H HN 0.403 nan 8.280 nan 0.000 0.551 484 S N 0.168 115.828 115.700 -0.066 0.000 2.451 484 S HA 0.214 4.642 4.470 -0.070 0.000 0.301 484 S C 1.173 175.753 174.600 -0.033 0.000 1.116 484 S CA -0.146 58.038 58.200 -0.027 0.000 1.093 484 S CB 1.260 64.486 63.200 0.043 0.000 1.017 484 S HN 0.695 nan 8.310 nan 0.000 0.482 485 S N 4.144 119.824 115.700 -0.033 0.000 2.436 485 S HA -0.056 4.372 4.470 -0.070 0.000 0.228 485 S C 1.710 176.348 174.600 0.064 0.000 1.014 485 S CA 1.236 59.525 58.200 0.148 0.000 0.950 485 S CB -0.476 62.797 63.200 0.120 0.000 0.784 485 S HN 0.613 nan 8.310 nan 0.000 0.504 486 V N 2.433 122.333 119.914 -0.022 0.000 2.220 486 V HA -0.234 3.843 4.120 -0.070 0.000 0.250 486 V C 1.416 177.517 176.094 0.012 0.000 1.056 486 V CA 2.475 64.774 62.300 -0.003 0.000 1.016 486 V CB -0.867 30.940 31.823 -0.026 0.000 0.639 486 V HN 0.657 nan 8.190 nan 0.000 0.446 487 N N -1.270 117.434 118.700 0.007 0.000 2.291 487 N HA 0.148 4.846 4.740 -0.070 0.000 0.244 487 N C -0.574 174.940 175.510 0.007 0.000 1.216 487 N CA 0.004 53.056 53.050 0.004 0.000 0.879 487 N CB 0.548 39.039 38.487 0.006 0.000 1.167 487 N HN 0.324 nan 8.380 nan 0.000 0.515 488 D N 1.694 122.114 120.400 0.032 0.000 2.751 488 D HA -0.185 4.413 4.640 -0.070 0.000 0.233 488 D C -0.252 176.075 176.300 0.045 0.000 1.149 488 D CA 1.066 55.105 54.000 0.064 0.000 0.682 488 D CB -0.725 40.099 40.800 0.040 0.000 1.068 488 D HN 0.599 nan 8.370 nan 0.000 0.429 489 K N -0.023 120.393 120.400 0.028 0.000 2.276 489 K HA 0.441 4.719 4.320 -0.070 0.000 0.283 489 K C 0.679 177.284 176.600 0.008 0.000 1.044 489 K CA -0.254 56.042 56.287 0.016 0.000 0.944 489 K CB 1.145 33.646 32.500 0.000 0.000 1.012 489 K HN -0.028 nan 8.250 nan 0.000 0.472 490 G N 3.206 112.007 108.800 0.000 0.000 2.353 490 G HA2 0.115 4.033 3.960 -0.070 0.000 0.239 490 G HA3 0.115 4.033 3.960 -0.070 0.000 0.239 490 G C 0.313 175.111 174.900 -0.169 0.000 1.295 490 G CA -0.541 44.458 45.100 -0.168 0.000 0.884 490 G HN 0.727 nan 8.290 nan 0.000 0.537 491 L N 1.224 122.299 121.223 -0.246 0.000 2.445 491 L HA 0.436 4.733 4.340 -0.070 0.000 0.207 491 L C 1.279 178.057 176.870 -0.152 0.000 1.053 491 L CA 0.254 55.004 54.840 -0.151 0.000 0.841 491 L CB 0.344 42.329 42.059 -0.124 0.000 1.074 491 L HN 0.512 nan 8.230 nan 0.000 0.479 492 R N -0.440 119.928 120.500 -0.221 0.000 2.647 492 R HA 0.353 4.651 4.340 -0.070 0.000 0.260 492 R C -1.606 174.551 176.300 -0.239 0.000 1.154 492 R CA -0.386 55.600 56.100 -0.189 0.000 1.029 492 R CB 1.797 31.995 30.300 -0.169 0.000 1.262 492 R HN -0.261 nan 8.270 nan 0.000 0.437 493 V N 6.340 126.143 119.914 -0.184 0.000 2.555 493 V HA 0.098 4.176 4.120 -0.070 0.000 0.286 493 V C 1.281 177.231 176.094 -0.241 0.000 1.044 493 V CA 0.205 62.398 62.300 -0.179 0.000 1.026 493 V CB 1.247 33.003 31.823 -0.113 0.000 0.981 493 V HN 0.759 nan 8.190 nan 0.000 0.480 494 L N 2.437 123.457 121.223 -0.337 0.000 2.200 494 L HA 0.305 4.603 4.340 -0.070 0.000 0.200 494 L C 0.687 177.309 176.870 -0.413 0.000 1.072 494 L CA 0.658 55.110 54.840 -0.647 0.000 0.787 494 L CB 0.191 41.518 42.059 -1.219 0.000 0.957 494 L HN 0.650 nan 8.230 nan 0.000 0.459 495 E N 0.031 120.136 120.200 -0.158 0.000 2.307 495 E HA 0.103 4.411 4.350 -0.070 0.000 0.280 495 E C -1.137 175.525 176.600 0.103 0.000 0.900 495 E CA -0.399 56.019 56.400 0.029 0.000 0.790 495 E CB 1.182 30.941 29.700 0.098 0.000 1.261 495 E HN 0.182 nan 8.360 nan 0.000 0.405 496 D N 2.961 123.390 120.400 0.049 0.000 2.433 496 D HA 0.117 4.715 4.640 -0.070 0.000 0.211 496 D C -0.219 176.091 176.300 0.017 0.000 1.114 496 D CA -0.206 53.805 54.000 0.020 0.000 0.837 496 D CB -0.015 40.777 40.800 -0.013 0.000 0.984 496 D HN 0.437 nan 8.370 nan 0.000 0.505 497 N N 0.371 119.101 118.700 0.050 0.000 2.725 497 N HA -0.215 4.483 4.740 -0.070 0.000 0.249 497 N C 0.931 176.446 175.510 0.009 0.000 1.103 497 N CA 0.897 53.969 53.050 0.037 0.000 0.707 497 N CB -1.270 37.229 38.487 0.019 0.000 1.043 497 N HN 0.477 nan 8.380 nan 0.000 0.553 498 S N -1.001 114.706 115.700 0.012 0.000 2.382 498 S HA -0.080 4.348 4.470 -0.070 0.000 0.228 498 S C 2.139 176.753 174.600 0.024 0.000 1.027 498 S CA 1.083 59.287 58.200 0.008 0.000 0.991 498 S CB -0.251 62.953 63.200 0.007 0.000 0.823 498 S HN 0.520 nan 8.310 nan 0.000 0.469 499 A N 2.389 125.231 122.820 0.038 0.000 1.873 499 A HA -0.012 4.266 4.320 -0.070 0.000 0.218 499 A C 2.292 179.919 177.584 0.072 0.000 1.193 499 A CA 1.657 53.725 52.037 0.052 0.000 0.629 499 A CB -1.018 18.015 19.000 0.055 0.000 0.826 499 A HN 0.521 nan 8.150 nan 0.000 0.447 500 L N -0.751 120.518 121.223 0.077 0.000 2.046 500 L HA -0.202 4.096 4.340 -0.070 0.000 0.208 500 L C 2.251 179.164 176.870 0.073 0.000 1.077 500 L CA 2.518 57.424 54.840 0.110 0.000 0.747 500 L CB -0.711 41.406 42.059 0.096 0.000 0.896 500 L HN 0.439 nan 8.230 nan 0.000 0.432 501 D N 0.325 120.733 120.400 0.015 0.000 2.157 501 D HA -0.287 4.311 4.640 -0.070 0.000 0.191 501 D C 2.092 178.407 176.300 0.025 0.000 1.004 501 D CA 2.237 56.233 54.000 -0.008 0.000 0.854 501 D CB 0.101 40.887 40.800 -0.023 0.000 0.936 501 D HN 0.450 nan 8.370 nan 0.000 0.446 502 K N -0.163 120.263 120.400 0.043 0.000 2.026 502 K HA -0.113 4.164 4.320 -0.070 0.000 0.208 502 K C 2.222 178.873 176.600 0.085 0.000 1.048 502 K CA 1.417 57.735 56.287 0.052 0.000 0.929 502 K CB -0.654 31.874 32.500 0.047 0.000 0.713 502 K HN 0.163 nan 8.250 nan 0.000 0.439 503 M N 0.682 120.362 119.600 0.132 0.000 2.106 503 M HA -0.120 4.318 4.480 -0.070 0.000 0.259 503 M C 2.061 178.467 176.300 0.176 0.000 1.068 503 M CA 1.693 57.127 55.300 0.222 0.000 1.100 503 M CB -0.393 32.431 32.600 0.373 0.000 1.351 503 M HN 0.149 nan 8.290 nan 0.000 0.404 504 L N -0.855 120.422 121.223 0.090 0.000 2.313 504 L HA -0.140 4.158 4.340 -0.070 0.000 0.214 504 L C 2.260 179.132 176.870 0.003 0.000 1.119 504 L CA 0.705 55.539 54.840 -0.010 0.000 0.809 504 L CB -0.638 41.411 42.059 -0.017 0.000 0.933 504 L HN 0.372 nan 8.230 nan 0.000 0.449 505 Q N 0.016 119.831 119.800 0.025 0.000 2.234 505 Q HA -0.173 4.124 4.340 -0.070 0.000 0.206 505 Q C 1.499 177.521 176.000 0.036 0.000 0.980 505 Q CA 1.043 56.860 55.803 0.023 0.000 0.869 505 Q CB -0.127 28.626 28.738 0.024 0.000 0.912 505 Q HN 0.443 nan 8.270 nan 0.000 0.436 506 N N 0.015 118.750 118.700 0.058 0.000 2.383 506 N HA 0.043 4.741 4.740 -0.070 0.000 0.192 506 N C -0.891 174.665 175.510 0.077 0.000 1.141 506 N CA 0.235 53.332 53.050 0.079 0.000 0.851 506 N CB 0.750 39.306 38.487 0.115 0.000 0.976 506 N HN -0.048 nan 8.380 nan 0.000 0.465 507 V N 0.907 120.842 119.914 0.034 0.000 2.823 507 V HA 0.230 4.308 4.120 -0.070 0.000 0.312 507 V C -0.080 176.023 176.094 0.014 0.000 1.072 507 V CA -0.902 61.410 62.300 0.019 0.000 0.937 507 V CB 2.434 34.206 31.823 -0.086 0.000 1.013 507 V HN -0.024 nan 8.190 nan 0.000 0.430 508 Q N 3.783 123.608 119.800 0.040 0.000 2.452 508 Q HA 0.335 4.632 4.340 -0.070 0.000 0.230 508 Q C -0.662 175.326 176.000 -0.021 0.000 1.180 508 Q CA -0.174 55.639 55.803 0.017 0.000 0.914 508 Q CB 0.436 29.225 28.738 0.085 0.000 1.408 508 Q HN 0.481 nan 8.270 nan 0.000 0.520 509 M N 3.993 123.554 119.600 -0.065 0.000 2.277 509 M HA 0.384 4.821 4.480 -0.070 0.000 0.350 509 M C -1.985 174.246 176.300 -0.116 0.000 1.180 509 M CA -2.597 52.649 55.300 -0.090 0.000 1.103 509 M CB 0.417 32.968 32.600 -0.082 0.000 1.577 509 M HN 0.309 nan 8.290 nan 0.000 0.459 510 P HA 0.264 nan 4.420 nan 0.000 0.276 510 P C -0.856 176.352 177.300 -0.153 0.000 1.261 510 P CA -0.352 62.658 63.100 -0.150 0.000 0.800 510 P CB 0.548 32.150 31.700 -0.164 0.000 1.066 511 S N -0.788 114.806 115.700 -0.176 0.000 2.621 511 S HA 0.529 4.957 4.470 -0.070 0.000 0.302 511 S C -0.413 174.077 174.600 -0.182 0.000 1.093 511 S CA -0.891 57.212 58.200 -0.162 0.000 1.017 511 S CB 1.757 64.856 63.200 -0.169 0.000 1.077 511 S HN 0.450 nan 8.310 nan 0.000 0.517 512 K N 0.878 121.193 120.400 -0.141 0.000 2.274 512 K HA 0.322 4.600 4.320 -0.070 0.000 0.262 512 K C -0.981 175.540 176.600 -0.132 0.000 0.961 512 K CA -0.493 55.715 56.287 -0.132 0.000 0.833 512 K CB 1.119 33.562 32.500 -0.094 0.000 1.102 512 K HN 0.723 nan 8.250 nan 0.000 0.436 513 K N 5.144 125.451 120.400 -0.154 0.000 2.213 513 K HA 0.259 4.537 4.320 -0.070 0.000 0.270 513 K C -1.427 175.088 176.600 -0.142 0.000 1.002 513 K CA -0.732 55.466 56.287 -0.148 0.000 0.868 513 K CB 0.888 33.283 32.500 -0.175 0.000 1.093 513 K HN 0.392 nan 8.250 nan 0.000 0.454 514 L N 4.334 125.482 121.223 -0.124 0.000 2.349 514 L HA 0.529 4.827 4.340 -0.070 0.000 0.278 514 L C -1.190 175.597 176.870 -0.138 0.000 0.996 514 L CA 0.137 54.925 54.840 -0.087 0.000 0.825 514 L CB 1.401 43.499 42.059 0.065 0.000 1.243 514 L HN 0.851 nan 8.230 nan 0.000 0.412 515 D N 2.714 122.853 120.400 -0.435 0.000 2.946 515 D HA 0.482 5.080 4.640 -0.070 0.000 0.337 515 D C -1.705 174.140 176.300 -0.759 0.000 1.332 515 D CA -0.025 53.583 54.000 -0.653 0.000 0.935 515 D CB 1.693 42.097 40.800 -0.661 0.000 1.440 515 D HN 0.205 nan 8.370 nan 0.000 0.540 516 F N 0.169 119.792 119.950 -0.545 0.000 2.599 516 F HA 0.718 5.203 4.527 -0.071 0.000 0.311 516 F C -0.549 175.310 175.800 0.097 0.000 1.076 516 F CA -1.055 56.701 58.000 -0.406 0.000 0.937 516 F CB 0.710 39.032 39.000 -1.130 0.000 1.282 516 F HN 0.301 nan 8.300 nan 0.000 0.460 517 I N -0.289 120.608 120.570 0.545 0.000 3.170 517 I HA 0.686 4.814 4.170 -0.070 0.000 0.312 517 I C -1.311 175.039 176.117 0.388 0.000 1.085 517 I CA -1.314 60.241 61.300 0.425 0.000 0.999 517 I CB 2.566 40.751 38.000 0.309 0.000 1.233 517 I HN 0.610 nan 8.210 nan 0.000 0.467 518 I N 3.202 123.939 120.570 0.278 0.000 2.389 518 I HA 0.373 4.501 4.170 -0.070 0.000 0.288 518 I C -0.923 175.335 176.117 0.235 0.000 0.999 518 I CA -0.592 60.847 61.300 0.232 0.000 1.129 518 I CB 1.916 39.999 38.000 0.138 0.000 1.288 518 I HN 0.387 nan 8.210 nan 0.000 0.444 519 L N 5.354 126.795 121.223 0.364 0.000 2.265 519 L HA 0.368 4.666 4.340 -0.070 0.000 0.289 519 L C 0.868 177.875 176.870 0.228 0.000 1.033 519 L CA -0.281 54.710 54.840 0.251 0.000 0.814 519 L CB 0.989 43.179 42.059 0.218 0.000 1.203 519 L HN 0.875 nan 8.230 nan 0.000 0.423 520 N N 2.813 121.582 118.700 0.116 0.000 2.746 520 N HA -0.234 4.464 4.740 -0.070 0.000 0.250 520 N C 0.844 176.395 175.510 0.069 0.000 1.055 520 N CA 1.136 54.232 53.050 0.076 0.000 0.699 520 N CB -2.044 36.481 38.487 0.064 0.000 0.919 520 N HN 0.964 nan 8.380 nan 0.000 0.548 521 E N -2.584 117.648 120.200 0.054 0.000 3.673 521 E HA -0.213 4.095 4.350 -0.070 0.000 0.309 521 E C -0.056 176.539 176.600 -0.009 0.000 0.819 521 E CA 1.654 58.067 56.400 0.021 0.000 1.111 521 E CB -1.372 28.335 29.700 0.011 0.000 1.561 521 E HN 1.002 nan 8.360 nan 0.000 0.450 522 T N 0.347 114.904 114.554 0.005 0.000 2.888 522 T HA 0.380 4.688 4.350 -0.070 0.000 0.284 522 T C -0.471 174.088 174.700 -0.235 0.000 1.017 522 T CA -0.632 61.383 62.100 -0.142 0.000 1.022 522 T CB 1.480 70.238 68.868 -0.183 0.000 1.013 522 T HN 0.024 nan 8.240 nan 0.000 0.465 523 K N 2.291 122.462 120.400 -0.382 0.000 2.297 523 K HA 0.379 4.657 4.320 -0.070 0.000 0.286 523 K C -1.128 175.167 176.600 -0.508 0.000 1.053 523 K CA -0.057 56.004 56.287 -0.376 0.000 0.940 523 K CB 0.438 32.666 32.500 -0.454 0.000 1.019 523 K HN 0.377 nan 8.250 nan 0.000 0.475 524 F N 2.181 122.190 119.950 0.098 0.000 2.507 524 F HA 0.313 4.798 4.527 -0.071 0.000 0.325 524 F C -0.378 175.515 175.800 0.154 0.000 1.116 524 F CA -0.794 57.284 58.000 0.131 0.000 0.930 524 F CB 0.934 40.016 39.000 0.136 0.000 1.146 524 F HN 0.428 nan 8.300 nan 0.000 0.447 525 W N 3.859 125.306 121.300 0.245 0.000 2.313 525 W HA 0.509 5.127 4.660 -0.070 0.000 0.328 525 W C -0.652 176.053 176.519 0.309 0.000 1.197 525 W CA -0.530 56.972 57.345 0.263 0.000 1.235 525 W CB 0.708 30.266 29.460 0.163 0.000 1.158 525 W HN 0.447 nan 8.180 nan 0.000 0.578 526 Y N 0.080 120.673 120.300 0.490 0.000 2.562 526 Y HA 0.585 5.093 4.550 -0.070 0.000 0.345 526 Y C -0.914 175.197 175.900 0.352 0.000 1.045 526 Y CA -1.763 56.629 58.100 0.487 0.000 1.028 526 Y CB 1.112 40.018 38.460 0.742 0.000 1.297 526 Y HN 0.569 nan 8.280 nan 0.000 0.463 527 Q N 3.179 123.199 119.800 0.366 0.000 2.387 527 Q HA 0.720 5.018 4.340 -0.070 0.000 0.273 527 Q C -1.760 174.376 176.000 0.226 0.000 1.089 527 Q CA -1.187 54.716 55.803 0.166 0.000 0.824 527 Q CB 3.132 31.933 28.738 0.106 0.000 1.367 527 Q HN 0.922 nan 8.270 nan 0.000 0.443 528 M N 2.704 122.346 119.600 0.069 0.000 2.259 528 M HA 0.480 4.917 4.480 -0.070 0.000 0.304 528 M C -1.601 174.629 176.300 -0.118 0.000 1.019 528 M CA -0.454 54.826 55.300 -0.033 0.000 0.922 528 M CB 2.088 34.642 32.600 -0.076 0.000 1.600 528 M HN 0.692 nan 8.290 nan 0.000 0.433 529 I N 5.740 126.237 120.570 -0.121 0.000 2.304 529 I HA 0.321 4.449 4.170 -0.070 0.000 0.291 529 I C -1.000 174.972 176.117 -0.242 0.000 1.018 529 I CA -0.421 60.779 61.300 -0.167 0.000 1.260 529 I CB 0.593 38.515 38.000 -0.130 0.000 1.390 529 I HN 0.552 nan 8.210 nan 0.000 0.475 530 L N 8.432 129.459 121.223 -0.327 0.000 2.317 530 L HA 0.517 4.815 4.340 -0.070 0.000 0.281 530 L C -2.350 174.346 176.870 -0.290 0.000 1.024 530 L CA -2.060 52.495 54.840 -0.477 0.000 0.810 530 L CB 1.276 42.839 42.059 -0.826 0.000 1.240 530 L HN 0.264 nan 8.230 nan 0.000 0.427 531 P HA 0.040 nan 4.420 nan 0.000 0.268 531 P C -2.472 174.805 177.300 -0.037 0.000 1.208 531 P CA -0.760 62.299 63.100 -0.069 0.000 0.777 531 P CB -0.203 31.517 31.700 0.034 0.000 0.875 532 P HA 0.042 nan 4.420 nan 0.000 0.271 532 P C -0.621 176.645 177.300 -0.057 0.000 1.216 532 P CA 0.228 63.234 63.100 -0.155 0.000 0.776 532 P CB -0.064 31.514 31.700 -0.205 0.000 0.881 533 H N -1.783 117.321 119.070 0.056 0.000 2.880 533 H HA -0.196 4.318 4.556 -0.070 0.000 0.304 533 H C -0.210 175.172 175.328 0.089 0.000 1.259 533 H CA -0.069 56.015 56.048 0.059 0.000 1.153 533 H CB -2.681 27.108 29.762 0.045 0.000 1.395 533 H HN 0.320 nan 8.280 nan 0.000 0.420 534 F N 1.987 121.925 119.950 -0.020 0.000 2.578 534 F HA 0.191 4.676 4.527 -0.070 0.000 0.376 534 F C 0.582 176.382 175.800 -0.000 0.000 1.085 534 F CA -0.171 57.772 58.000 -0.094 0.000 1.260 534 F CB 0.491 39.333 39.000 -0.262 0.000 1.095 534 F HN 0.309 nan 8.300 nan 0.000 0.573 535 D N 5.241 125.314 120.400 -0.544 0.000 2.454 535 D HA 0.169 4.766 4.640 -0.070 0.000 0.247 535 D C 0.548 176.497 176.300 -0.584 0.000 1.129 535 D CA -0.511 53.263 54.000 -0.377 0.000 0.877 535 D CB 0.837 41.560 40.800 -0.128 0.000 1.082 535 D HN 0.608 nan 8.370 nan 0.000 0.537 536 K N 1.195 121.296 120.400 -0.498 0.000 2.515 536 K HA -0.092 4.186 4.320 -0.070 0.000 0.196 536 K C 1.022 177.627 176.600 0.008 0.000 1.038 536 K CA 0.822 56.975 56.287 -0.224 0.000 0.967 536 K CB -0.025 32.495 32.500 0.033 0.000 0.780 536 K HN 0.230 nan 8.250 nan 0.000 0.483 537 S N 0.009 115.680 115.700 -0.047 0.000 2.631 537 S HA 0.125 4.553 4.470 -0.070 0.000 0.217 537 S C 0.041 174.616 174.600 -0.043 0.000 0.958 537 S CA -0.595 57.595 58.200 -0.017 0.000 0.920 537 S CB 0.051 63.234 63.200 -0.028 0.000 0.776 537 S HN 0.099 nan 8.310 nan 0.000 0.517 538 K N 1.656 122.016 120.400 -0.066 0.000 2.259 538 K HA 0.453 4.731 4.320 -0.070 0.000 0.249 538 K C -0.723 175.807 176.600 -0.116 0.000 0.942 538 K CA -0.681 55.512 56.287 -0.157 0.000 0.816 538 K CB 1.240 33.548 32.500 -0.320 0.000 1.155 538 K HN 0.054 nan 8.250 nan 0.000 0.428 539 K N 2.502 122.797 120.400 -0.177 0.000 2.248 539 K HA 0.269 4.546 4.320 -0.070 0.000 0.281 539 K C -0.417 176.047 176.600 -0.227 0.000 1.054 539 K CA -0.359 55.876 56.287 -0.087 0.000 0.903 539 K CB 0.317 32.767 32.500 -0.083 0.000 1.077 539 K HN 0.428 nan 8.250 nan 0.000 0.474 540 Y N 2.942 123.261 120.300 0.031 0.000 2.361 540 Y HA 0.252 4.760 4.550 -0.070 0.000 0.332 540 Y C -1.780 174.063 175.900 -0.095 0.000 1.101 540 Y CA -2.473 55.629 58.100 0.003 0.000 1.137 540 Y CB 0.933 39.476 38.460 0.139 0.000 1.207 540 Y HN 0.454 nan 8.280 nan 0.000 0.463 541 P HA 0.094 nan 4.420 nan 0.000 0.271 541 P C -0.979 176.208 177.300 -0.189 0.000 1.216 541 P CA -0.077 62.762 63.100 -0.435 0.000 0.776 541 P CB 1.066 32.108 31.700 -1.097 0.000 0.881 542 L N 3.867 125.038 121.223 -0.085 0.000 2.333 542 L HA 0.468 4.765 4.340 -0.070 0.000 0.280 542 L C -0.846 176.217 176.870 0.322 0.000 1.004 542 L CA -1.076 53.836 54.840 0.120 0.000 0.820 542 L CB 1.382 43.520 42.059 0.131 0.000 1.247 542 L HN 0.161 nan 8.230 nan 0.000 0.416 543 L N 5.781 127.202 121.223 0.331 0.000 2.265 543 L HA 0.466 4.764 4.340 -0.070 0.000 0.289 543 L C -0.988 176.110 176.870 0.380 0.000 1.033 543 L CA -0.211 54.869 54.840 0.399 0.000 0.814 543 L CB 1.384 43.627 42.059 0.306 0.000 1.203 543 L HN 0.627 nan 8.230 nan 0.000 0.423 544 L N 5.154 126.645 121.223 0.447 0.000 2.315 544 L HA 0.346 4.643 4.340 -0.070 0.000 0.283 544 L C -0.516 176.602 176.870 0.413 0.000 1.089 544 L CA 0.197 55.295 54.840 0.431 0.000 0.833 544 L CB 0.505 42.846 42.059 0.471 0.000 1.170 544 L HN 0.673 nan 8.230 nan 0.000 0.442 545 D N 4.597 125.229 120.400 0.387 0.000 2.317 545 D HA 0.354 4.951 4.640 -0.070 0.000 0.234 545 D C -1.115 175.288 176.300 0.172 0.000 1.112 545 D CA -0.150 54.023 54.000 0.289 0.000 0.840 545 D CB 1.197 42.260 40.800 0.438 0.000 1.078 545 D HN 0.225 nan 8.370 nan 0.000 0.486 546 V N 5.513 125.437 119.914 0.017 0.000 2.540 546 V HA 0.271 4.349 4.120 -0.070 0.000 0.302 546 V C -0.248 175.922 176.094 0.126 0.000 1.035 546 V CA -0.709 61.653 62.300 0.103 0.000 0.873 546 V CB 1.300 33.160 31.823 0.062 0.000 0.992 546 V HN 0.617 nan 8.190 nan 0.000 0.428 547 Y N 3.870 124.237 120.300 0.112 0.000 2.891 547 Y HA 0.534 5.042 4.550 -0.070 0.000 0.228 547 Y C 1.739 177.783 175.900 0.240 0.000 1.000 547 Y CA 1.279 59.476 58.100 0.160 0.000 1.491 547 Y CB 0.100 38.640 38.460 0.133 0.000 1.394 547 Y HN 0.721 nan 8.280 nan 0.000 0.477 548 A N 0.466 123.484 122.820 0.330 0.000 2.899 548 A HA -0.160 4.118 4.320 -0.070 0.000 0.257 548 A C 0.994 178.535 177.584 -0.071 0.000 1.335 548 A CA 0.806 52.965 52.037 0.205 0.000 0.924 548 A CB -2.524 16.626 19.000 0.249 0.000 1.105 548 A HN 0.928 nan 8.150 nan 0.000 0.765 549 G N -0.693 107.854 108.800 -0.421 0.000 2.636 549 G HA2 0.455 4.373 3.960 -0.070 0.000 0.246 549 G HA3 0.455 4.373 3.960 -0.070 0.000 0.246 549 G C -2.147 172.537 174.900 -0.359 0.000 1.216 549 G CA -0.554 43.887 45.100 -1.098 0.000 0.854 549 G HN 0.320 nan 8.290 nan 0.000 0.572 550 P HA 0.086 nan 4.420 nan 0.000 0.263 550 P C 0.586 177.828 177.300 -0.096 0.000 1.195 550 P CA -0.006 62.907 63.100 -0.312 0.000 0.762 550 P CB 0.669 31.855 31.700 -0.858 0.000 0.799 551 C N 2.456 121.755 119.300 -0.000 0.000 4.456 551 C HA -0.146 4.272 4.460 -0.070 0.000 0.288 551 C C 1.027 176.110 174.990 0.154 0.000 1.374 551 C CA 1.207 60.208 59.018 -0.029 0.000 1.956 551 C CB -2.691 24.946 27.740 -0.172 0.000 1.255 551 C HN 0.804 nan 8.230 nan 0.000 0.788 552 S N -0.052 115.772 115.700 0.207 0.000 2.652 552 S HA 0.643 5.070 4.470 -0.070 0.000 0.270 552 S C -0.685 174.082 174.600 0.278 0.000 1.243 552 S CA 0.035 58.403 58.200 0.280 0.000 0.999 552 S CB 1.754 65.190 63.200 0.393 0.000 0.973 552 S HN 0.809 nan 8.310 nan 0.000 0.544 553 Q N -0.118 119.853 119.800 0.285 0.000 2.263 553 Q HA 0.403 4.700 4.340 -0.070 0.000 0.262 553 Q C -0.859 175.252 176.000 0.184 0.000 0.984 553 Q CA -0.614 55.350 55.803 0.268 0.000 0.813 553 Q CB 1.250 30.195 28.738 0.345 0.000 1.299 553 Q HN 0.714 nan 8.270 nan 0.000 0.428 554 K N 1.197 121.709 120.400 0.186 0.000 2.402 554 K HA 0.365 4.642 4.320 -0.070 0.000 0.204 554 K C -0.633 176.064 176.600 0.162 0.000 1.056 554 K CA 0.234 56.620 56.287 0.165 0.000 1.069 554 K CB 1.736 34.364 32.500 0.215 0.000 0.888 554 K HN 0.518 nan 8.250 nan 0.000 0.546 555 A N 2.699 125.625 122.820 0.175 0.000 2.273 555 A HA 0.500 4.778 4.320 -0.070 0.000 0.315 555 A C -0.831 176.814 177.584 0.102 0.000 1.256 555 A CA -0.442 51.699 52.037 0.173 0.000 0.851 555 A CB 0.358 19.520 19.000 0.271 0.000 1.172 555 A HN 0.249 nan 8.150 nan 0.000 0.508 556 D N -0.087 120.338 120.400 0.042 0.000 2.768 556 D HA 0.348 4.946 4.640 -0.070 0.000 0.327 556 D C 0.258 176.534 176.300 -0.040 0.000 1.302 556 D CA 0.293 54.291 54.000 -0.004 0.000 0.897 556 D CB 0.200 40.968 40.800 -0.054 0.000 1.420 556 D HN 0.230 nan 8.370 nan 0.000 0.494 557 T N -2.211 112.323 114.554 -0.034 0.000 3.206 557 T HA 0.338 4.646 4.350 -0.070 0.000 0.253 557 T C 0.458 175.080 174.700 -0.129 0.000 1.042 557 T CA -0.343 61.743 62.100 -0.022 0.000 0.931 557 T CB -0.678 68.237 68.868 0.079 0.000 1.029 557 T HN 0.292 nan 8.240 nan 0.000 0.564 558 V N 2.405 122.125 119.914 -0.323 0.000 2.614 558 V HA 0.329 4.407 4.120 -0.070 0.000 0.291 558 V C 0.052 176.079 176.094 -0.112 0.000 1.049 558 V CA -1.004 61.109 62.300 -0.311 0.000 1.038 558 V CB 0.230 31.766 31.823 -0.478 0.000 0.980 558 V HN 0.570 nan 8.190 nan 0.000 0.481 559 F N 6.205 126.056 119.950 -0.165 0.000 2.424 559 F HA 0.566 5.051 4.527 -0.070 0.000 0.356 559 F C 0.476 176.219 175.800 -0.096 0.000 1.110 559 F CA -0.168 57.760 58.000 -0.119 0.000 1.161 559 F CB 0.224 39.163 39.000 -0.102 0.000 1.115 559 F HN 0.425 nan 8.300 nan 0.000 0.507 560 R N 6.535 126.551 120.500 -0.807 0.000 2.686 560 R HA 0.538 4.836 4.340 -0.070 0.000 0.283 560 R C -1.581 174.284 176.300 -0.724 0.000 0.978 560 R CA -1.056 54.718 56.100 -0.544 0.000 0.897 560 R CB 2.165 32.307 30.300 -0.262 0.000 1.192 560 R HN 0.665 nan 8.270 nan 0.000 0.457 561 L N 4.216 125.200 121.223 -0.399 0.000 2.277 561 L HA 0.421 4.719 4.340 -0.070 0.000 0.284 561 L C -0.390 176.430 176.870 -0.084 0.000 1.028 561 L CA -0.582 54.083 54.840 -0.293 0.000 0.835 561 L CB 0.435 42.453 42.059 -0.069 0.000 1.215 561 L HN 0.775 nan 8.230 nan 0.000 0.425 562 N N 0.590 119.164 118.700 -0.210 0.000 3.574 562 N HA 0.147 4.845 4.740 -0.070 0.000 0.340 562 N C 0.100 175.332 175.510 -0.463 0.000 1.650 562 N CA -0.833 52.002 53.050 -0.359 0.000 0.762 562 N CB 0.133 38.526 38.487 -0.157 0.000 2.206 562 N HN 0.308 nan 8.380 nan 0.000 0.621 563 W N 0.626 121.497 121.300 -0.716 0.000 2.381 563 W HA 0.318 4.935 4.660 -0.071 0.000 0.301 563 W C 2.112 178.608 176.519 -0.039 0.000 1.205 563 W CA 2.643 59.752 57.345 -0.394 0.000 1.285 563 W CB -0.996 28.328 29.460 -0.226 0.000 1.133 563 W HN 0.700 nan 8.180 nan 0.000 0.521 564 A N -0.386 122.423 122.820 -0.019 0.000 1.978 564 A HA -0.211 4.067 4.320 -0.070 0.000 0.220 564 A C 1.937 179.423 177.584 -0.163 0.000 1.170 564 A CA 2.504 54.461 52.037 -0.134 0.000 0.636 564 A CB -1.251 17.746 19.000 -0.005 0.000 0.810 564 A HN 0.294 nan 8.150 nan 0.000 0.448 565 T N -1.171 113.293 114.554 -0.149 0.000 2.652 565 T HA -0.216 4.091 4.350 -0.070 0.000 0.267 565 T C 1.814 176.511 174.700 -0.004 0.000 1.039 565 T CA 1.759 63.736 62.100 -0.205 0.000 1.153 565 T CB -0.563 68.008 68.868 -0.495 0.000 0.863 565 T HN 0.674 nan 8.240 nan 0.000 0.428 566 Y N 2.171 122.534 120.300 0.105 0.000 2.128 566 Y HA -0.133 4.375 4.550 -0.070 0.000 0.284 566 Y C 1.990 177.877 175.900 -0.021 0.000 1.154 566 Y CA 1.141 59.345 58.100 0.173 0.000 1.149 566 Y CB -0.811 37.761 38.460 0.186 0.000 0.976 566 Y HN 0.137 nan 8.280 nan 0.000 0.505 567 L N 0.069 120.914 121.223 -0.630 0.000 2.083 567 L HA -0.200 4.098 4.340 -0.070 0.000 0.209 567 L C 2.805 179.445 176.870 -0.383 0.000 1.083 567 L CA 1.247 55.643 54.840 -0.739 0.000 0.752 567 L CB -0.914 40.734 42.059 -0.684 0.000 0.899 567 L HN 0.427 nan 8.230 nan 0.000 0.433 568 A N -1.411 121.261 122.820 -0.245 0.000 1.898 568 A HA -0.149 4.129 4.320 -0.070 0.000 0.214 568 A C 2.506 180.035 177.584 -0.091 0.000 1.183 568 A CA 1.616 53.565 52.037 -0.147 0.000 0.622 568 A CB -0.485 18.425 19.000 -0.149 0.000 0.824 568 A HN 0.301 nan 8.150 nan 0.000 0.444 569 S N -1.117 114.543 115.700 -0.067 0.000 2.371 569 S HA -0.094 4.334 4.470 -0.070 0.000 0.224 569 S C 1.954 176.574 174.600 0.034 0.000 1.029 569 S CA 2.150 60.356 58.200 0.011 0.000 0.978 569 S CB -0.290 62.965 63.200 0.093 0.000 0.833 569 S HN 0.593 nan 8.310 nan 0.000 0.466 570 T N 1.046 115.594 114.554 -0.011 0.000 3.021 570 T HA 0.192 4.499 4.350 -0.070 0.000 0.245 570 T C 1.332 176.009 174.700 -0.038 0.000 1.028 570 T CA 0.433 62.542 62.100 0.014 0.000 1.139 570 T CB -0.062 68.864 68.868 0.096 0.000 0.884 570 T HN 0.277 nan 8.240 nan 0.000 0.457 571 E N 1.269 121.375 120.200 -0.156 0.000 2.474 571 E HA 0.158 4.466 4.350 -0.070 0.000 0.195 571 E C -0.015 176.566 176.600 -0.031 0.000 1.039 571 E CA -0.062 56.272 56.400 -0.110 0.000 0.881 571 E CB -0.052 29.517 29.700 -0.219 0.000 0.970 571 E HN 0.260 nan 8.360 nan 0.000 0.486 572 N N 0.849 119.545 118.700 -0.006 0.000 2.727 572 N HA -0.200 4.498 4.740 -0.070 0.000 0.249 572 N C -0.676 174.916 175.510 0.137 0.000 1.048 572 N CA 0.699 53.812 53.050 0.106 0.000 0.714 572 N CB -1.744 36.851 38.487 0.180 0.000 0.959 572 N HN 0.302 nan 8.380 nan 0.000 0.544 573 I N 0.656 121.240 120.570 0.023 0.000 2.392 573 I HA 0.321 4.449 4.170 -0.070 0.000 0.295 573 I C 1.038 177.150 176.117 -0.009 0.000 0.985 573 I CA -0.736 60.580 61.300 0.026 0.000 1.221 573 I CB 1.199 39.214 38.000 0.024 0.000 1.366 573 I HN -0.041 nan 8.210 nan 0.000 0.467 574 I N 6.355 126.936 120.570 0.018 0.000 2.396 574 I HA 0.135 4.263 4.170 -0.070 0.000 0.289 574 I C -0.321 175.794 176.117 -0.003 0.000 1.056 574 I CA -0.429 60.845 61.300 -0.044 0.000 1.365 574 I CB 0.852 38.842 38.000 -0.017 0.000 1.407 574 I HN 0.223 nan 8.210 nan 0.000 0.509 575 V N 6.435 126.332 119.914 -0.028 0.000 2.370 575 V HA 0.633 4.711 4.120 -0.070 0.000 0.279 575 V C 0.412 176.538 176.094 0.053 0.000 1.029 575 V CA -0.499 61.828 62.300 0.045 0.000 0.870 575 V CB 1.035 32.878 31.823 0.034 0.000 0.984 575 V HN 0.837 nan 8.190 nan 0.000 0.451 576 A N 3.764 126.655 122.820 0.118 0.000 2.356 576 A HA 0.927 5.205 4.320 -0.070 0.000 0.323 576 A C -0.216 177.557 177.584 0.314 0.000 1.119 576 A CA -0.540 51.579 52.037 0.135 0.000 0.790 576 A CB 1.857 20.827 19.000 -0.051 0.000 1.273 576 A HN 0.687 nan 8.150 nan 0.000 0.452 577 S N -0.136 115.798 115.700 0.388 0.000 2.548 577 S HA 0.678 5.106 4.470 -0.070 0.000 0.276 577 S C -1.682 173.265 174.600 0.578 0.000 1.129 577 S CA -0.295 58.160 58.200 0.424 0.000 0.931 577 S CB 1.102 64.486 63.200 0.307 0.000 1.068 577 S HN 0.773 nan 8.310 nan 0.000 0.480 578 F N 2.445 122.638 119.950 0.405 0.000 2.547 578 F HA 0.512 4.997 4.527 -0.070 0.000 0.316 578 F C -1.286 174.717 175.800 0.339 0.000 1.121 578 F CA -0.748 57.502 58.000 0.417 0.000 0.911 578 F CB 1.356 40.549 39.000 0.321 0.000 1.179 578 F HN 0.362 nan 8.300 nan 0.000 0.443 579 D N 4.776 124.968 120.400 -0.347 0.000 2.443 579 D HA 0.373 4.970 4.640 -0.070 0.000 0.221 579 D C 0.372 176.402 176.300 -0.450 0.000 1.097 579 D CA 0.139 54.025 54.000 -0.189 0.000 0.865 579 D CB 1.485 42.341 40.800 0.093 0.000 1.034 579 D HN 0.768 nan 8.370 nan 0.000 0.511 580 G N 1.431 110.060 108.800 -0.285 0.000 2.849 580 G HA2 0.281 4.198 3.960 -0.070 0.000 0.174 580 G HA3 0.281 4.198 3.960 -0.070 0.000 0.174 580 G C 0.053 174.960 174.900 0.012 0.000 1.370 580 G CA -0.701 44.234 45.100 -0.275 0.000 1.040 580 G HN 0.287 nan 8.290 nan 0.000 0.582 581 R N -0.384 120.097 120.500 -0.031 0.000 2.537 581 R HA 0.394 4.692 4.340 -0.070 0.000 0.280 581 R C 1.102 177.503 176.300 0.168 0.000 1.058 581 R CA 1.276 57.457 56.100 0.136 0.000 1.057 581 R CB 0.620 30.986 30.300 0.110 0.000 0.973 581 R HN 1.005 nan 8.270 nan 0.000 0.438 582 G N 1.243 110.144 108.800 0.168 0.000 2.284 582 G HA2 -0.325 3.593 3.960 -0.070 0.000 0.216 582 G HA3 -0.325 3.593 3.960 -0.070 0.000 0.216 582 G C 0.207 175.171 174.900 0.106 0.000 1.009 582 G CA 0.079 45.267 45.100 0.147 0.000 0.625 582 G HN 0.719 nan 8.290 nan 0.000 0.501 583 S N 0.558 116.331 115.700 0.121 0.000 2.600 583 S HA 0.637 5.064 4.470 -0.070 0.000 0.265 583 S C 0.849 175.477 174.600 0.046 0.000 1.325 583 S CA 0.586 58.855 58.200 0.115 0.000 1.002 583 S CB 1.608 64.903 63.200 0.158 0.000 0.921 583 S HN 1.714 nan 8.310 nan 0.000 0.554 584 G N -0.918 107.889 108.800 0.011 0.000 2.521 584 G HA2 0.507 4.425 3.960 -0.070 0.000 0.323 584 G HA3 0.507 4.425 3.960 -0.070 0.000 0.323 584 G C -0.988 173.836 174.900 -0.126 0.000 1.211 584 G CA -0.976 43.963 45.100 -0.269 0.000 0.979 584 G HN 0.979 nan 8.290 nan 0.000 0.490 585 Y N -2.361 117.960 120.300 0.035 0.000 4.729 585 Y HA -0.206 4.302 4.550 -0.070 0.000 0.239 585 Y C 1.309 177.235 175.900 0.044 0.000 1.043 585 Y CA 0.990 59.115 58.100 0.041 0.000 2.045 585 Y CB -2.169 36.326 38.460 0.059 0.000 1.599 585 Y HN 0.576 nan 8.280 nan 0.000 0.655 586 Q N -0.051 119.799 119.800 0.083 0.000 2.089 586 Q HA 0.525 4.823 4.340 -0.070 0.000 0.248 586 Q C 0.842 176.819 176.000 -0.038 0.000 0.828 586 Q CA 0.174 56.041 55.803 0.107 0.000 1.102 586 Q CB 1.622 30.413 28.738 0.089 0.000 1.221 586 Q HN 0.578 nan 8.270 nan 0.000 0.455 587 G N 0.718 109.385 108.800 -0.221 0.000 2.662 587 G HA2 -0.182 3.736 3.960 -0.070 0.000 0.686 587 G HA3 -0.182 3.736 3.960 -0.070 0.000 0.686 587 G C -0.509 174.074 174.900 -0.528 0.000 1.271 587 G CA -0.570 44.150 45.100 -0.635 0.000 0.816 587 G HN 0.120 nan 8.290 nan 0.000 0.608 588 D N -0.171 119.849 120.400 -0.633 0.000 2.224 588 D HA -0.037 4.561 4.640 -0.070 0.000 0.205 588 D C 2.219 178.233 176.300 -0.478 0.000 0.965 588 D CA 1.211 54.773 54.000 -0.730 0.000 0.852 588 D CB 0.040 40.402 40.800 -0.731 0.000 0.947 588 D HN 0.546 nan 8.370 nan 0.000 0.494 589 K N 0.557 120.751 120.400 -0.344 0.000 2.063 589 K HA -0.111 4.167 4.320 -0.070 0.000 0.208 589 K C 2.084 178.626 176.600 -0.096 0.000 1.048 589 K CA 0.858 57.037 56.287 -0.180 0.000 0.928 589 K CB -0.064 32.345 32.500 -0.151 0.000 0.713 589 K HN 0.116 nan 8.250 nan 0.000 0.442 590 I N 0.499 121.008 120.570 -0.101 0.000 2.233 590 I HA -0.250 3.878 4.170 -0.070 0.000 0.243 590 I C 2.681 178.802 176.117 0.006 0.000 1.093 590 I CA 0.934 62.246 61.300 0.020 0.000 1.380 590 I CB -0.132 37.900 38.000 0.054 0.000 1.067 590 I HN 0.289 nan 8.210 nan 0.000 0.413 591 M N 0.027 119.546 119.600 -0.136 0.000 2.117 591 M HA -0.238 4.200 4.480 -0.070 0.000 0.262 591 M C 1.789 178.097 176.300 0.013 0.000 1.065 591 M CA 2.034 57.258 55.300 -0.127 0.000 1.114 591 M CB -0.260 32.125 32.600 -0.359 0.000 1.361 591 M HN 0.267 nan 8.290 nan 0.000 0.408 592 H N -1.124 117.859 119.070 -0.144 0.000 2.539 592 H HA 0.261 4.774 4.556 -0.070 0.000 0.269 592 H C 1.734 177.085 175.328 0.038 0.000 0.980 592 H CA 0.123 56.078 56.048 -0.155 0.000 1.152 592 H CB 0.252 29.823 29.762 -0.319 0.000 1.407 592 H HN 0.499 nan 8.280 nan 0.000 0.564 593 A N 0.802 123.738 122.820 0.192 0.000 2.125 593 A HA -0.119 4.159 4.320 -0.070 0.000 0.219 593 A C 1.757 179.543 177.584 0.336 0.000 1.156 593 A CA 1.148 53.321 52.037 0.227 0.000 0.671 593 A CB -0.193 18.916 19.000 0.181 0.000 0.794 593 A HN 0.277 nan 8.150 nan 0.000 0.459 594 I N -0.591 120.160 120.570 0.301 0.000 3.956 594 I HA 0.126 4.254 4.170 -0.070 0.000 0.333 594 I C 0.476 176.705 176.117 0.187 0.000 1.302 594 I CA -0.571 60.876 61.300 0.244 0.000 1.122 594 I CB -0.521 37.614 38.000 0.224 0.000 1.013 594 I HN 0.237 nan 8.210 nan 0.000 0.405 595 N N 1.481 120.332 118.700 0.251 0.000 2.458 595 N HA -0.006 4.691 4.740 -0.070 0.000 0.258 595 N C 0.564 176.119 175.510 0.076 0.000 1.219 595 N CA 0.502 53.700 53.050 0.247 0.000 0.902 595 N CB 0.203 38.801 38.487 0.186 0.000 1.076 595 N HN 0.096 nan 8.380 nan 0.000 0.455 596 R N 0.595 121.115 120.500 0.033 0.000 3.946 596 R HA -0.231 4.066 4.340 -0.070 0.000 0.329 596 R C -0.163 176.062 176.300 -0.126 0.000 1.209 596 R CA 0.906 56.986 56.100 -0.032 0.000 0.909 596 R CB -1.069 29.227 30.300 -0.008 0.000 1.355 596 R HN 0.643 nan 8.270 nan 0.000 0.539 597 R N 0.486 120.888 120.500 -0.163 0.000 2.569 597 R HA 0.218 4.516 4.340 -0.070 0.000 0.429 597 R C -0.308 175.921 176.300 -0.118 0.000 0.994 597 R CA -0.280 55.563 56.100 -0.429 0.000 1.089 597 R CB 0.507 30.584 30.300 -0.373 0.000 1.420 597 R HN 0.022 nan 8.270 nan 0.000 0.615 598 L N -0.178 121.076 121.223 0.051 0.000 2.483 598 L HA 0.120 4.418 4.340 -0.070 0.000 0.276 598 L C 1.388 178.517 176.870 0.433 0.000 1.213 598 L CA 1.227 56.153 54.840 0.144 0.000 0.843 598 L CB 0.439 42.388 42.059 -0.184 0.000 1.107 598 L HN 0.576 nan 8.230 nan 0.000 0.487 599 G N 0.708 109.778 108.800 0.449 0.000 2.141 599 G HA2 -0.275 3.642 3.960 -0.070 0.000 0.231 599 G HA3 -0.275 3.642 3.960 -0.070 0.000 0.231 599 G C 0.410 175.415 174.900 0.175 0.000 0.984 599 G CA 0.494 45.824 45.100 0.384 0.000 0.660 599 G HN 0.835 nan 8.290 nan 0.000 0.525 600 T N -3.379 111.228 114.554 0.088 0.000 3.257 600 T HA 0.487 4.794 4.350 -0.070 0.000 0.176 600 T C 1.608 176.304 174.700 -0.007 0.000 0.892 600 T CA 0.876 62.921 62.100 -0.092 0.000 1.147 600 T CB -0.041 68.559 68.868 -0.448 0.000 1.840 600 T HN 0.115 nan 8.240 nan 0.000 0.375 601 F N 3.349 123.345 119.950 0.076 0.000 2.216 601 F HA 0.112 4.597 4.527 -0.071 0.000 0.300 601 F C 2.760 178.601 175.800 0.069 0.000 1.085 601 F CA 1.045 59.078 58.000 0.056 0.000 1.326 601 F CB -0.624 38.405 39.000 0.049 0.000 1.027 601 F HN 0.564 nan 8.300 nan 0.000 0.497 602 E N 0.258 120.624 120.200 0.277 0.000 2.274 602 E HA -0.105 4.202 4.350 -0.070 0.000 0.194 602 E C 2.016 178.734 176.600 0.196 0.000 0.996 602 E CA 1.292 57.833 56.400 0.235 0.000 0.840 602 E CB -0.728 29.124 29.700 0.255 0.000 0.772 602 E HN 0.298 nan 8.360 nan 0.000 0.491 603 V N 1.503 121.508 119.914 0.151 0.000 2.379 603 V HA -0.159 3.919 4.120 -0.070 0.000 0.243 603 V C 2.196 178.335 176.094 0.076 0.000 1.035 603 V CA 1.802 64.147 62.300 0.075 0.000 1.035 603 V CB -0.453 31.373 31.823 0.005 0.000 0.673 603 V HN 0.169 nan 8.190 nan 0.000 0.457 604 E N 0.397 120.656 120.200 0.100 0.000 2.070 604 E HA -0.281 4.027 4.350 -0.070 0.000 0.197 604 E C 1.926 178.555 176.600 0.049 0.000 1.004 604 E CA 1.790 58.243 56.400 0.088 0.000 0.805 604 E CB -0.248 29.543 29.700 0.152 0.000 0.744 604 E HN 0.547 nan 8.360 nan 0.000 0.451 605 D N 0.224 120.670 120.400 0.077 0.000 2.149 605 D HA -0.159 4.439 4.640 -0.070 0.000 0.198 605 D C 2.032 178.294 176.300 -0.064 0.000 0.990 605 D CA 0.893 54.910 54.000 0.028 0.000 0.839 605 D CB -0.149 40.737 40.800 0.145 0.000 0.948 605 D HN 0.122 nan 8.370 nan 0.000 0.460 606 Q N -0.004 119.834 119.800 0.063 0.000 2.079 606 Q HA -0.050 4.248 4.340 -0.070 0.000 0.200 606 Q C 2.597 178.622 176.000 0.041 0.000 0.974 606 Q CA 0.584 56.422 55.803 0.058 0.000 0.840 606 Q CB -0.255 28.564 28.738 0.136 0.000 0.898 606 Q HN 0.428 nan 8.270 nan 0.000 0.430 607 I N 0.870 121.486 120.570 0.077 0.000 2.286 607 I HA -0.225 3.903 4.170 -0.070 0.000 0.248 607 I C 2.383 178.441 176.117 -0.098 0.000 1.115 607 I CA 0.980 62.349 61.300 0.115 0.000 1.392 607 I CB -0.152 37.910 38.000 0.103 0.000 1.065 607 I HN 0.128 nan 8.210 nan 0.000 0.418 608 E N 0.856 120.951 120.200 -0.176 0.000 2.106 608 E HA -0.162 4.146 4.350 -0.070 0.000 0.192 608 E C 2.326 178.639 176.600 -0.478 0.000 0.984 608 E CA 1.333 57.572 56.400 -0.268 0.000 0.806 608 E CB -0.078 29.484 29.700 -0.230 0.000 0.750 608 E HN 0.476 nan 8.360 nan 0.000 0.458 609 A N 1.404 123.781 122.820 -0.739 0.000 1.877 609 A HA -0.109 4.169 4.320 -0.070 0.000 0.216 609 A C 2.435 179.362 177.584 -1.095 0.000 1.186 609 A CA 2.048 53.352 52.037 -1.221 0.000 0.620 609 A CB -0.657 17.326 19.000 -1.695 0.000 0.822 609 A HN 0.279 nan 8.150 nan 0.000 0.443 610 A N 0.050 122.547 122.820 -0.538 0.000 1.873 610 A HA -0.243 4.035 4.320 -0.070 0.000 0.218 610 A C 2.231 179.627 177.584 -0.314 0.000 1.193 610 A CA 1.812 53.678 52.037 -0.283 0.000 0.629 610 A CB -0.581 18.304 19.000 -0.193 0.000 0.826 610 A HN 0.569 nan 8.150 nan 0.000 0.447 611 R N -0.733 119.575 120.500 -0.321 0.000 2.105 611 R HA -0.162 4.136 4.340 -0.070 0.000 0.239 611 R C 2.418 178.574 176.300 -0.239 0.000 1.135 611 R CA 1.665 57.614 56.100 -0.250 0.000 0.967 611 R CB -0.297 29.878 30.300 -0.209 0.000 0.861 611 R HN 0.691 nan 8.270 nan 0.000 0.442 612 Q N -0.676 118.923 119.800 -0.336 0.000 2.187 612 Q HA -0.052 4.246 4.340 -0.070 0.000 0.199 612 Q C 1.790 177.672 176.000 -0.195 0.000 0.957 612 Q CA 0.816 56.447 55.803 -0.288 0.000 0.857 612 Q CB 0.088 28.613 28.738 -0.355 0.000 0.929 612 Q HN 0.255 nan 8.270 nan 0.000 0.453 613 F N 1.160 120.962 119.950 -0.247 0.000 2.171 613 F HA -0.168 4.316 4.527 -0.070 0.000 0.300 613 F C 2.663 178.299 175.800 -0.274 0.000 1.090 613 F CA 1.405 59.253 58.000 -0.252 0.000 1.293 613 F CB -1.136 37.755 39.000 -0.181 0.000 1.013 613 F HN 0.061 nan 8.300 nan 0.000 0.486 614 S N -0.113 115.552 115.700 -0.058 0.000 2.555 614 S HA -0.114 4.313 4.470 -0.070 0.000 0.230 614 S C 1.785 176.299 174.600 -0.144 0.000 0.978 614 S CA 0.734 58.864 58.200 -0.118 0.000 0.934 614 S CB -0.517 62.608 63.200 -0.125 0.000 0.766 614 S HN 0.612 nan 8.310 nan 0.000 0.533 615 K N 0.865 121.179 120.400 -0.144 0.000 2.244 615 K HA 0.203 4.481 4.320 -0.070 0.000 0.200 615 K C 0.575 177.087 176.600 -0.146 0.000 1.052 615 K CA -0.073 56.139 56.287 -0.125 0.000 0.980 615 K CB -0.233 32.205 32.500 -0.104 0.000 0.838 615 K HN 0.353 nan 8.250 nan 0.000 0.481 616 M N 1.810 121.292 119.600 -0.195 0.000 2.240 616 M HA -0.023 4.415 4.480 -0.070 0.000 0.346 616 M C 1.083 177.107 176.300 -0.461 0.000 1.236 616 M CA 0.646 55.753 55.300 -0.322 0.000 0.986 616 M CB 0.726 33.009 32.600 -0.529 0.000 1.786 616 M HN 0.370 nan 8.290 nan 0.000 0.457 617 G N 2.264 110.885 108.800 -0.297 0.000 3.042 617 G HA2 0.124 4.042 3.960 -0.070 0.000 0.212 617 G HA3 0.124 4.042 3.960 -0.070 0.000 0.212 617 G C 0.522 175.382 174.900 -0.067 0.000 1.166 617 G CA -0.214 44.802 45.100 -0.139 0.000 0.767 617 G HN 0.812 nan 8.290 nan 0.000 0.546 618 F N -0.603 119.408 119.950 0.101 0.000 2.641 618 F HA 0.606 5.091 4.527 -0.070 0.000 0.302 618 F C -0.163 175.764 175.800 0.210 0.000 1.098 618 F CA -1.368 56.728 58.000 0.160 0.000 1.318 618 F CB -0.128 39.029 39.000 0.262 0.000 1.035 618 F HN -0.192 nan 8.300 nan 0.000 0.551 619 V N 1.397 121.271 119.914 -0.067 0.000 2.459 619 V HA 0.210 4.287 4.120 -0.070 0.000 0.295 619 V C -0.707 175.366 176.094 -0.035 0.000 1.029 619 V CA -0.820 61.483 62.300 0.005 0.000 0.874 619 V CB 1.629 33.386 31.823 -0.110 0.000 0.985 619 V HN 0.053 nan 8.190 nan 0.000 0.438 620 D N 3.479 123.861 120.400 -0.030 0.000 2.338 620 D HA 0.052 4.649 4.640 -0.070 0.000 0.255 620 D C 1.257 177.512 176.300 -0.075 0.000 1.237 620 D CA 0.097 54.053 54.000 -0.073 0.000 0.883 620 D CB 0.559 41.293 40.800 -0.110 0.000 1.087 620 D HN 0.746 nan 8.370 nan 0.000 0.485 621 N N 2.829 121.486 118.700 -0.072 0.000 2.467 621 N HA -0.076 4.622 4.740 -0.070 0.000 0.184 621 N C 0.631 176.107 175.510 -0.058 0.000 1.106 621 N CA 0.033 53.038 53.050 -0.075 0.000 0.892 621 N CB 0.225 38.660 38.487 -0.088 0.000 0.969 621 N HN 0.190 nan 8.380 nan 0.000 0.454 622 K N 0.243 120.617 120.400 -0.043 0.000 2.444 622 K HA 0.156 4.433 4.320 -0.070 0.000 0.193 622 K C 0.113 176.726 176.600 0.020 0.000 1.024 622 K CA 0.166 56.445 56.287 -0.014 0.000 1.077 622 K CB 0.404 32.896 32.500 -0.014 0.000 0.833 622 K HN 0.180 nan 8.250 nan 0.000 0.517 623 R N 1.327 121.821 120.500 -0.011 0.000 2.681 623 R HA 0.339 4.636 4.340 -0.070 0.000 0.277 623 R C -0.953 175.388 176.300 0.069 0.000 1.563 623 R CA -0.148 55.964 56.100 0.021 0.000 1.673 623 R CB 0.604 30.731 30.300 -0.288 0.000 1.258 623 R HN 0.001 nan 8.270 nan 0.000 0.650 624 I N 1.087 121.781 120.570 0.208 0.000 2.378 624 I HA 0.575 4.702 4.170 -0.070 0.000 0.291 624 I C 0.112 176.534 176.117 0.509 0.000 0.992 624 I CA -0.766 60.706 61.300 0.286 0.000 1.154 624 I CB 1.878 39.912 38.000 0.057 0.000 1.315 624 I HN 0.297 nan 8.210 nan 0.000 0.448 625 A N 6.982 130.174 122.820 0.620 0.000 2.387 625 A HA 0.916 5.194 4.320 -0.070 0.000 0.298 625 A C -1.112 176.786 177.584 0.524 0.000 1.165 625 A CA -0.658 51.694 52.037 0.527 0.000 0.814 625 A CB 2.070 21.255 19.000 0.307 0.000 1.357 625 A HN 0.728 nan 8.150 nan 0.000 0.443 626 I N 0.317 121.102 120.570 0.359 0.000 2.802 626 I HA 0.720 4.848 4.170 -0.070 0.000 0.298 626 I C -1.901 174.449 176.117 0.387 0.000 1.176 626 I CA -0.567 60.873 61.300 0.233 0.000 1.025 626 I CB 1.758 39.576 38.000 -0.304 0.000 1.243 626 I HN 0.924 nan 8.210 nan 0.000 0.424 627 W N 6.862 128.269 121.300 0.178 0.000 3.248 627 W HA 0.813 5.431 4.660 -0.071 0.000 0.311 627 W C -1.615 175.038 176.519 0.223 0.000 1.258 627 W CA -0.972 56.497 57.345 0.207 0.000 1.191 627 W CB 0.973 30.617 29.460 0.305 0.000 1.389 627 W HN 0.824 nan 8.180 nan 0.000 0.561 628 G N 1.034 109.641 108.800 -0.322 0.000 2.601 628 G HA2 0.480 4.398 3.960 -0.070 0.000 0.291 628 G HA3 0.480 4.398 3.960 -0.070 0.000 0.291 628 G C -2.811 171.956 174.900 -0.223 0.000 1.456 628 G CA -0.713 44.065 45.100 -0.537 0.000 0.804 628 G HN 0.596 nan 8.290 nan 0.000 0.499 629 W N 0.944 122.052 121.300 -0.320 0.000 2.736 629 W HA 0.594 5.212 4.660 -0.069 0.000 0.335 629 W C 0.801 177.311 176.519 -0.016 0.000 1.059 629 W CA 0.353 57.621 57.345 -0.128 0.000 1.226 629 W CB 1.743 31.154 29.460 -0.082 0.000 1.416 629 W HN 1.024 nan 8.180 nan 0.000 0.505 630 S N 1.834 117.720 115.700 0.310 0.000 4.155 630 S HA -0.424 4.003 4.470 -0.070 0.000 0.604 630 S C 0.891 175.551 174.600 0.101 0.000 1.871 630 S CA 1.839 60.235 58.200 0.326 0.000 4.248 630 S CB -1.623 61.913 63.200 0.561 0.000 0.206 630 S HN 0.746 nan 8.310 nan 0.000 0.460 631 Y N 2.837 123.075 120.300 -0.103 0.000 2.263 631 Y HA 0.132 4.639 4.550 -0.070 0.000 0.292 631 Y C 2.335 178.138 175.900 -0.161 0.000 1.130 631 Y CA 2.094 60.070 58.100 -0.206 0.000 1.179 631 Y CB -0.928 37.250 38.460 -0.471 0.000 0.998 631 Y HN 0.476 nan 8.280 nan 0.000 0.532 632 G N -0.875 107.905 108.800 -0.034 0.000 2.448 632 G HA2 -0.201 3.717 3.960 -0.070 0.000 0.219 632 G HA3 -0.201 3.717 3.960 -0.070 0.000 0.219 632 G C 1.846 176.733 174.900 -0.022 0.000 1.127 632 G CA 0.733 45.837 45.100 0.007 0.000 0.766 632 G HN 0.569 nan 8.290 nan 0.000 0.552 633 G N -0.302 108.489 108.800 -0.015 0.000 2.408 633 G HA2 -0.158 3.760 3.960 -0.070 0.000 0.215 633 G HA3 -0.158 3.760 3.960 -0.070 0.000 0.215 633 G C 1.558 176.446 174.900 -0.020 0.000 1.156 633 G CA 0.886 45.971 45.100 -0.025 0.000 0.793 633 G HN 0.397 nan 8.290 nan 0.000 0.535 634 Y N 1.453 121.632 120.300 -0.202 0.000 2.181 634 Y HA -0.132 4.375 4.550 -0.071 0.000 0.288 634 Y C 2.707 178.492 175.900 -0.191 0.000 1.146 634 Y CA 1.594 59.527 58.100 -0.278 0.000 1.164 634 Y CB -0.337 37.807 38.460 -0.526 0.000 0.982 634 Y HN 0.033 nan 8.280 nan 0.000 0.515 635 V N -0.419 119.350 119.914 -0.241 0.000 2.307 635 V HA -0.312 3.766 4.120 -0.070 0.000 0.245 635 V C 2.312 178.280 176.094 -0.209 0.000 1.045 635 V CA 2.387 64.551 62.300 -0.228 0.000 1.024 635 V CB -1.232 30.600 31.823 0.016 0.000 0.651 635 V HN 0.466 nan 8.190 nan 0.000 0.449 636 T N 0.262 114.738 114.554 -0.129 0.000 2.653 636 T HA -0.246 4.062 4.350 -0.070 0.000 0.268 636 T C 2.095 176.724 174.700 -0.118 0.000 1.035 636 T CA 2.213 64.248 62.100 -0.109 0.000 1.154 636 T CB -0.346 68.529 68.868 0.011 0.000 0.862 636 T HN 0.536 nan 8.240 nan 0.000 0.441 637 S N 0.874 116.535 115.700 -0.063 0.000 2.383 637 S HA 0.010 4.438 4.470 -0.070 0.000 0.227 637 S C 2.122 176.623 174.600 -0.164 0.000 1.026 637 S CA 0.874 59.062 58.200 -0.020 0.000 0.981 637 S CB -0.259 62.987 63.200 0.077 0.000 0.818 637 S HN 0.333 nan 8.310 nan 0.000 0.472 638 M N 0.912 120.329 119.600 -0.306 0.000 2.175 638 M HA -0.003 4.435 4.480 -0.070 0.000 0.264 638 M C 2.205 178.345 176.300 -0.267 0.000 1.063 638 M CA 0.997 56.107 55.300 -0.316 0.000 1.119 638 M CB -1.372 30.949 32.600 -0.464 0.000 1.377 638 M HN 0.175 nan 8.290 nan 0.000 0.415 639 V N 0.853 120.605 119.914 -0.269 0.000 2.295 639 V HA -0.250 3.828 4.120 -0.070 0.000 0.246 639 V C 2.547 178.458 176.094 -0.306 0.000 1.049 639 V CA 1.458 63.608 62.300 -0.250 0.000 1.024 639 V CB -0.651 30.968 31.823 -0.340 0.000 0.648 639 V HN 0.392 nan 8.190 nan 0.000 0.447 640 L N 0.459 121.423 121.223 -0.432 0.000 2.079 640 L HA -0.108 4.190 4.340 -0.070 0.000 0.210 640 L C 2.301 178.634 176.870 -0.894 0.000 1.081 640 L CA 1.704 56.188 54.840 -0.592 0.000 0.752 640 L CB -0.894 40.733 42.059 -0.720 0.000 0.896 640 L HN 0.491 nan 8.230 nan 0.000 0.433 641 G N -1.263 106.942 108.800 -0.993 0.000 3.124 641 G HA2 -0.063 3.854 3.960 -0.070 0.000 0.212 641 G HA3 -0.063 3.854 3.960 -0.070 0.000 0.212 641 G C 1.489 176.204 174.900 -0.308 0.000 1.181 641 G CA 0.632 45.278 45.100 -0.756 0.000 0.803 641 G HN 0.473 nan 8.290 nan 0.000 0.529 642 S N -1.037 114.513 115.700 -0.249 0.000 2.478 642 S HA 0.323 4.751 4.470 -0.070 0.000 0.222 642 S C 1.908 176.458 174.600 -0.083 0.000 1.008 642 S CA 0.992 59.119 58.200 -0.121 0.000 0.928 642 S CB 0.007 63.162 63.200 -0.075 0.000 0.781 642 S HN 1.337 nan 8.310 nan 0.000 0.518 643 G N 1.481 110.221 108.800 -0.099 0.000 2.143 643 G HA2 -0.339 3.579 3.960 -0.070 0.000 0.248 643 G HA3 -0.339 3.579 3.960 -0.070 0.000 0.248 643 G C 0.971 175.853 174.900 -0.030 0.000 0.991 643 G CA 0.937 46.002 45.100 -0.058 0.000 0.689 643 G HN 1.253 nan 8.290 nan 0.000 0.522 644 S N -0.476 115.216 115.700 -0.014 0.000 2.423 644 S HA 0.306 4.734 4.470 -0.070 0.000 0.231 644 S C 2.511 177.100 174.600 -0.020 0.000 1.014 644 S CA 1.782 59.980 58.200 -0.003 0.000 0.965 644 S CB -0.235 62.986 63.200 0.036 0.000 0.785 644 S HN 2.433 nan 8.310 nan 0.000 0.495 645 G N -0.192 108.603 108.800 -0.009 0.000 2.179 645 G HA2 -0.272 3.646 3.960 -0.070 0.000 0.260 645 G HA3 -0.272 3.646 3.960 -0.070 0.000 0.260 645 G C 0.733 175.598 174.900 -0.057 0.000 0.977 645 G CA 0.393 45.480 45.100 -0.022 0.000 0.641 645 G HN 0.721 nan 8.290 nan 0.000 0.533 646 V N -0.649 119.198 119.914 -0.112 0.000 2.649 646 V HA 0.319 4.397 4.120 -0.070 0.000 0.248 646 V C 1.095 176.956 176.094 -0.388 0.000 1.054 646 V CA 1.344 63.444 62.300 -0.333 0.000 1.073 646 V CB -0.277 31.174 31.823 -0.620 0.000 0.699 646 V HN 0.297 nan 8.190 nan 0.000 0.463 647 F N -0.165 119.797 119.950 0.020 0.000 2.436 647 F HA 0.414 4.899 4.527 -0.070 0.000 0.340 647 F C 1.101 176.942 175.800 0.068 0.000 1.113 647 F CA -0.502 57.535 58.000 0.062 0.000 1.022 647 F CB 1.626 40.661 39.000 0.058 0.000 1.128 647 F HN -0.278 nan 8.300 nan 0.000 0.466 648 K N 1.564 122.127 120.400 0.272 0.000 2.116 648 K HA 0.085 4.363 4.320 -0.070 0.000 0.203 648 K C -0.080 176.640 176.600 0.201 0.000 1.052 648 K CA 0.882 57.286 56.287 0.195 0.000 0.952 648 K CB 0.256 32.871 32.500 0.191 0.000 0.729 648 K HN 0.788 nan 8.250 nan 0.000 0.446 649 c N -3.150 115.605 118.600 0.257 0.000 3.292 649 c HA 0.828 5.356 4.570 -0.070 0.000 0.338 649 c C -0.510 173.789 174.090 0.348 0.000 1.323 649 c CA -0.540 55.959 56.329 0.283 0.000 1.232 649 c CB 1.157 43.756 42.510 0.149 0.000 1.517 649 c HN 0.339 nan 8.230 nan 0.000 0.470 650 G N 0.447 109.531 108.800 0.472 0.000 2.632 650 G HA2 0.703 4.621 3.960 -0.070 0.000 0.292 650 G HA3 0.703 4.621 3.960 -0.070 0.000 0.292 650 G C -1.944 173.187 174.900 0.385 0.000 1.465 650 G CA -0.701 44.645 45.100 0.411 0.000 0.824 650 G HN 1.122 nan 8.290 nan 0.000 0.509 651 I N 0.865 121.620 120.570 0.307 0.000 2.447 651 I HA 0.596 4.724 4.170 -0.070 0.000 0.287 651 I C 0.233 176.455 176.117 0.175 0.000 1.023 651 I CA -0.978 60.390 61.300 0.113 0.000 1.083 651 I CB 2.155 40.235 38.000 0.132 0.000 1.245 651 I HN 0.631 nan 8.210 nan 0.000 0.434 652 A N 6.757 129.581 122.820 0.007 0.000 2.258 652 A HA 0.753 5.031 4.320 -0.070 0.000 0.316 652 A C -0.572 176.905 177.584 -0.178 0.000 1.279 652 A CA -0.481 51.551 52.037 -0.009 0.000 0.876 652 A CB 0.876 19.942 19.000 0.111 0.000 1.170 652 A HN 0.467 nan 8.150 nan 0.000 0.520 653 V N 2.125 121.882 119.914 -0.263 0.000 2.417 653 V HA 0.579 4.657 4.120 -0.070 0.000 0.291 653 V C 0.967 176.663 176.094 -0.662 0.000 1.024 653 V CA 0.259 62.200 62.300 -0.599 0.000 0.861 653 V CB 0.885 32.043 31.823 -1.108 0.000 0.985 653 V HN 2.034 nan 8.190 nan 0.000 0.436 654 A N 5.360 127.764 122.820 -0.693 0.000 2.511 654 A HA -0.107 4.171 4.320 -0.070 0.000 0.297 654 A C -1.648 175.736 177.584 -0.333 0.000 1.476 654 A CA 0.476 52.016 52.037 -0.829 0.000 0.757 654 A CB -1.626 16.960 19.000 -0.691 0.000 1.072 654 A HN 0.631 nan 8.150 nan 0.000 0.413 655 P HA 0.400 nan 4.420 nan 0.000 0.277 655 P C 0.266 177.519 177.300 -0.078 0.000 1.240 655 P CA -0.167 62.886 63.100 -0.078 0.000 0.798 655 P CB 1.164 32.845 31.700 -0.032 0.000 0.979 656 V N 2.129 121.903 119.914 -0.232 0.000 2.775 656 V HA 0.078 4.156 4.120 -0.070 0.000 0.299 656 V C 1.734 177.666 176.094 -0.270 0.000 1.062 656 V CA 0.925 62.968 62.300 -0.428 0.000 1.063 656 V CB 0.676 31.856 31.823 -1.072 0.000 0.994 656 V HN 0.833 nan 8.190 nan 0.000 0.483 657 S N 2.973 118.528 115.700 -0.241 0.000 2.593 657 S HA 0.302 4.730 4.470 -0.070 0.000 0.235 657 S C 0.501 174.966 174.600 -0.224 0.000 1.059 657 S CA -0.365 57.768 58.200 -0.111 0.000 0.953 657 S CB 0.367 63.551 63.200 -0.027 0.000 0.897 657 S HN 0.722 nan 8.310 nan 0.000 0.507 658 R N -0.901 119.343 120.500 -0.427 0.000 2.536 658 R HA 0.326 4.623 4.340 -0.070 0.000 0.269 658 R C -1.207 174.785 176.300 -0.512 0.000 1.113 658 R CA -0.648 55.160 56.100 -0.486 0.000 0.948 658 R CB 0.480 30.392 30.300 -0.646 0.000 1.237 658 R HN 0.249 nan 8.270 nan 0.000 0.441 659 W N 1.942 123.161 121.300 -0.135 0.000 2.519 659 W HA 0.007 4.625 4.660 -0.071 0.000 0.266 659 W C 1.319 177.970 176.519 0.220 0.000 1.253 659 W CA 0.449 57.796 57.345 0.004 0.000 1.274 659 W CB 0.426 29.782 29.460 -0.174 0.000 1.114 659 W HN 0.726 nan 8.180 nan 0.000 0.596 660 E N -0.748 119.633 120.200 0.302 0.000 2.267 660 E HA -0.219 4.088 4.350 -0.070 0.000 0.197 660 E C 1.334 178.057 176.600 0.206 0.000 0.998 660 E CA 1.151 57.645 56.400 0.155 0.000 0.830 660 E CB -0.456 29.212 29.700 -0.053 0.000 0.751 660 E HN 0.358 nan 8.360 nan 0.000 0.491 661 Y N -1.362 119.036 120.300 0.163 0.000 2.519 661 Y HA 0.057 4.564 4.550 -0.071 0.000 0.287 661 Y C 0.763 176.790 175.900 0.213 0.000 1.128 661 Y CA -0.287 57.889 58.100 0.127 0.000 1.282 661 Y CB -0.489 37.988 38.460 0.028 0.000 1.027 661 Y HN 0.040 nan 8.280 nan 0.000 0.551 662 Y N 1.836 122.313 120.300 0.295 0.000 2.408 662 Y HA 0.300 4.808 4.550 -0.071 0.000 0.324 662 Y C 0.270 176.400 175.900 0.384 0.000 1.302 662 Y CA -2.310 55.968 58.100 0.297 0.000 1.384 662 Y CB 0.325 38.982 38.460 0.328 0.000 1.367 662 Y HN 0.183 nan 8.280 nan 0.000 0.525 663 D N -0.583 119.546 120.400 -0.453 0.000 2.368 663 D HA 0.082 4.679 4.640 -0.070 0.000 0.240 663 D C 0.878 177.137 176.300 -0.068 0.000 1.169 663 D CA 0.401 54.206 54.000 -0.327 0.000 0.906 663 D CB 0.848 41.242 40.800 -0.677 0.000 1.187 663 D HN 0.465 nan 8.370 nan 0.000 0.435 664 S N 0.860 116.531 115.700 -0.048 0.000 2.383 664 S HA -0.176 4.252 4.470 -0.070 0.000 0.227 664 S C 1.883 176.488 174.600 0.009 0.000 1.026 664 S CA 0.960 59.183 58.200 0.038 0.000 0.981 664 S CB -0.820 62.409 63.200 0.049 0.000 0.818 664 S HN 0.424 nan 8.310 nan 0.000 0.472 665 V N 0.699 120.556 119.914 -0.095 0.000 2.295 665 V HA -0.144 3.933 4.120 -0.070 0.000 0.246 665 V C 2.297 178.315 176.094 -0.127 0.000 1.049 665 V CA 2.083 64.257 62.300 -0.211 0.000 1.024 665 V CB -1.045 30.480 31.823 -0.497 0.000 0.648 665 V HN 0.604 nan 8.190 nan 0.000 0.447 666 Y N 1.244 121.477 120.300 -0.111 0.000 2.184 666 Y HA -0.182 4.326 4.550 -0.071 0.000 0.290 666 Y C 2.677 178.591 175.900 0.023 0.000 1.129 666 Y CA 2.145 60.260 58.100 0.026 0.000 1.144 666 Y CB -0.480 38.154 38.460 0.290 0.000 0.995 666 Y HN 0.199 nan 8.280 nan 0.000 0.513 667 T N 0.421 115.157 114.554 0.303 0.000 2.674 667 T HA -0.196 4.111 4.350 -0.070 0.000 0.265 667 T C 1.533 176.194 174.700 -0.065 0.000 1.039 667 T CA 1.967 64.181 62.100 0.191 0.000 1.150 667 T CB -0.290 68.827 68.868 0.416 0.000 0.864 667 T HN 0.430 nan 8.240 nan 0.000 0.427 668 E N 0.446 120.638 120.200 -0.012 0.000 2.268 668 E HA -0.083 4.224 4.350 -0.070 0.000 0.195 668 E C 2.301 178.786 176.600 -0.192 0.000 0.995 668 E CA 0.396 56.783 56.400 -0.020 0.000 0.836 668 E CB -0.076 29.659 29.700 0.058 0.000 0.763 668 E HN 0.292 nan 8.360 nan 0.000 0.491 669 R N 0.121 120.359 120.500 -0.437 0.000 2.083 669 R HA -0.199 4.099 4.340 -0.070 0.000 0.237 669 R C 1.438 177.168 176.300 -0.950 0.000 1.137 669 R CA 1.716 57.347 56.100 -0.781 0.000 0.951 669 R CB -0.098 29.365 30.300 -1.395 0.000 0.851 669 R HN 0.222 nan 8.270 nan 0.000 0.434 670 Y N -2.029 117.908 120.300 -0.605 0.000 2.476 670 Y HA 0.172 4.679 4.550 -0.071 0.000 0.283 670 Y C 1.720 177.413 175.900 -0.345 0.000 1.109 670 Y CA 0.272 58.006 58.100 -0.610 0.000 1.246 670 Y CB 0.347 38.331 38.460 -0.793 0.000 1.068 670 Y HN 0.005 nan 8.280 nan 0.000 0.552 671 M N -0.669 118.799 119.600 -0.220 0.000 2.292 671 M HA 0.359 4.796 4.480 -0.070 0.000 0.286 671 M C 1.127 177.447 176.300 0.034 0.000 1.002 671 M CA 0.684 55.873 55.300 -0.185 0.000 1.029 671 M CB -0.231 32.072 32.600 -0.496 0.000 1.537 671 M HN 0.324 nan 8.290 nan 0.000 0.543 672 G N 2.009 110.836 108.800 0.045 0.000 2.601 672 G HA2 -0.258 3.660 3.960 -0.070 0.000 0.261 672 G HA3 -0.258 3.660 3.960 -0.070 0.000 0.261 672 G C -0.422 174.606 174.900 0.213 0.000 1.289 672 G CA -0.604 44.559 45.100 0.105 0.000 0.920 672 G HN 0.356 nan 8.290 nan 0.000 0.571 673 L N 2.069 123.385 121.223 0.156 0.000 2.322 673 L HA 0.440 4.738 4.340 -0.070 0.000 0.279 673 L C -1.551 175.292 176.870 -0.045 0.000 1.036 673 L CA -1.832 53.046 54.840 0.062 0.000 0.807 673 L CB 2.160 44.226 42.059 0.012 0.000 1.226 673 L HN 0.427 nan 8.230 nan 0.000 0.433 674 P HA 0.080 nan 4.420 nan 0.000 0.220 674 P C -0.546 176.600 177.300 -0.256 0.000 1.806 674 P CA -0.116 62.581 63.100 -0.672 0.000 0.976 674 P CB -0.422 30.586 31.700 -1.154 0.000 1.952 675 T N -2.568 111.918 114.554 -0.113 0.000 2.924 675 T HA 0.521 4.829 4.350 -0.070 0.000 0.291 675 T C -2.374 172.317 174.700 -0.014 0.000 1.045 675 T CA -2.480 59.586 62.100 -0.056 0.000 1.015 675 T CB 1.965 70.811 68.868 -0.037 0.000 1.103 675 T HN -0.274 nan 8.240 nan 0.000 0.496 676 P HA -0.018 nan 4.420 nan 0.000 0.226 676 P C 1.312 178.621 177.300 0.014 0.000 1.153 676 P CA 0.590 63.696 63.100 0.010 0.000 0.777 676 P CB 0.123 31.826 31.700 0.005 0.000 0.794 677 E N -1.032 119.172 120.200 0.008 0.000 2.358 677 E HA -0.073 4.235 4.350 -0.070 0.000 0.195 677 E C 0.986 177.597 176.600 0.019 0.000 1.010 677 E CA 0.818 57.224 56.400 0.010 0.000 0.856 677 E CB -0.361 29.341 29.700 0.003 0.000 0.795 677 E HN 0.276 nan 8.360 nan 0.000 0.504 678 D N 0.675 121.092 120.400 0.028 0.000 3.168 678 D HA 0.030 4.628 4.640 -0.070 0.000 0.219 678 D C 0.140 176.488 176.300 0.080 0.000 1.310 678 D CA -0.132 53.895 54.000 0.046 0.000 1.348 678 D CB 0.188 41.013 40.800 0.043 0.000 0.925 678 D HN 0.026 nan 8.370 nan 0.000 0.185 679 N N 0.224 119.001 118.700 0.128 0.000 2.377 679 N HA 0.076 4.774 4.740 -0.070 0.000 0.259 679 N C 1.072 176.763 175.510 0.301 0.000 1.332 679 N CA -0.097 53.077 53.050 0.207 0.000 0.877 679 N CB 0.189 38.819 38.487 0.239 0.000 1.299 679 N HN 0.104 nan 8.380 nan 0.000 0.501 680 L N 0.558 121.878 121.223 0.161 0.000 2.051 680 L HA -0.167 4.131 4.340 -0.070 0.000 0.214 680 L C 1.154 178.122 176.870 0.163 0.000 1.076 680 L CA 2.039 56.950 54.840 0.117 0.000 0.758 680 L CB -0.381 41.689 42.059 0.018 0.000 0.890 680 L HN 0.177 nan 8.230 nan 0.000 0.433 681 D N -1.645 118.838 120.400 0.137 0.000 2.117 681 D HA -0.245 4.352 4.640 -0.070 0.000 0.197 681 D C 2.022 178.414 176.300 0.154 0.000 0.987 681 D CA 1.781 55.853 54.000 0.120 0.000 0.829 681 D CB -0.254 40.606 40.800 0.099 0.000 0.961 681 D HN 0.598 nan 8.370 nan 0.000 0.460 682 H N -0.847 118.287 119.070 0.107 0.000 2.502 682 H HA -0.029 4.485 4.556 -0.071 0.000 0.283 682 H C 1.583 176.970 175.328 0.099 0.000 1.015 682 H CA 0.876 56.965 56.048 0.069 0.000 1.298 682 H CB -0.185 29.581 29.762 0.007 0.000 1.411 682 H HN 0.106 nan 8.280 nan 0.000 0.556 683 Y N 0.201 120.480 120.300 -0.035 0.000 2.165 683 Y HA -0.182 4.325 4.550 -0.070 0.000 0.286 683 Y C 2.268 178.117 175.900 -0.085 0.000 1.155 683 Y CA 1.430 59.509 58.100 -0.036 0.000 1.164 683 Y CB 0.148 38.618 38.460 0.017 0.000 0.978 683 Y HN 0.137 nan 8.280 nan 0.000 0.513 684 R N -0.637 119.919 120.500 0.093 0.000 2.161 684 R HA -0.048 4.249 4.340 -0.070 0.000 0.213 684 R C 1.420 177.710 176.300 -0.017 0.000 1.055 684 R CA 0.800 56.917 56.100 0.028 0.000 0.996 684 R CB -0.715 29.606 30.300 0.034 0.000 0.901 684 R HN 0.279 nan 8.270 nan 0.000 0.456 685 N N 0.607 119.277 118.700 -0.050 0.000 2.412 685 N HA -0.058 4.640 4.740 -0.070 0.000 0.184 685 N C 0.399 175.840 175.510 -0.114 0.000 1.101 685 N CA 0.472 53.492 53.050 -0.049 0.000 0.881 685 N CB 0.283 38.785 38.487 0.026 0.000 0.969 685 N HN 0.106 nan 8.380 nan 0.000 0.459 686 S N -1.766 113.816 115.700 -0.198 0.000 2.602 686 S HA 0.120 4.547 4.470 -0.070 0.000 0.240 686 S C 0.449 175.086 174.600 0.061 0.000 0.992 686 S CA -0.604 57.528 58.200 -0.113 0.000 0.971 686 S CB -0.627 62.400 63.200 -0.287 0.000 0.855 686 S HN 0.211 nan 8.310 nan 0.000 0.481 687 T N -1.063 113.488 114.554 -0.005 0.000 2.909 687 T HA 0.507 4.815 4.350 -0.070 0.000 0.289 687 T C 1.369 176.065 174.700 -0.006 0.000 1.005 687 T CA -0.582 61.510 62.100 -0.013 0.000 1.084 687 T CB 1.344 70.176 68.868 -0.061 0.000 0.975 687 T HN -0.047 nan 8.240 nan 0.000 0.509 688 V N 2.546 122.454 119.914 -0.009 0.000 2.295 688 V HA -0.160 3.918 4.120 -0.070 0.000 0.246 688 V C 2.690 178.762 176.094 -0.035 0.000 1.049 688 V CA 1.905 64.187 62.300 -0.029 0.000 1.024 688 V CB -0.954 30.843 31.823 -0.042 0.000 0.648 688 V HN 0.852 nan 8.190 nan 0.000 0.447 689 M N 1.220 120.785 119.600 -0.059 0.000 2.144 689 M HA -0.176 4.262 4.480 -0.070 0.000 0.260 689 M C 2.332 178.610 176.300 -0.037 0.000 1.067 689 M CA 2.206 57.465 55.300 -0.068 0.000 1.095 689 M CB -0.923 31.647 32.600 -0.051 0.000 1.365 689 M HN 0.555 nan 8.290 nan 0.000 0.406 690 S N -0.230 115.458 115.700 -0.020 0.000 2.447 690 S HA -0.088 4.339 4.470 -0.070 0.000 0.233 690 S C 1.716 176.322 174.600 0.011 0.000 1.006 690 S CA 0.710 58.906 58.200 -0.006 0.000 0.957 690 S CB -0.516 62.680 63.200 -0.007 0.000 0.773 690 S HN 0.538 nan 8.310 nan 0.000 0.507 691 R N 0.799 121.318 120.500 0.032 0.000 2.356 691 R HA 0.436 4.734 4.340 -0.070 0.000 0.234 691 R C 2.104 178.504 176.300 0.167 0.000 0.929 691 R CA 0.411 56.554 56.100 0.072 0.000 1.084 691 R CB -0.306 30.032 30.300 0.063 0.000 1.105 691 R HN 0.495 nan 8.270 nan 0.000 0.515 692 A N 1.866 124.739 122.820 0.089 0.000 1.892 692 A HA -0.220 4.058 4.320 -0.070 0.000 0.218 692 A C 1.931 179.600 177.584 0.141 0.000 1.188 692 A CA 1.288 53.358 52.037 0.055 0.000 0.631 692 A CB -0.212 18.747 19.000 -0.069 0.000 0.822 692 A HN 0.203 nan 8.150 nan 0.000 0.447 693 E N 0.133 120.383 120.200 0.084 0.000 2.147 693 E HA -0.213 4.095 4.350 -0.070 0.000 0.199 693 E C 1.461 178.118 176.600 0.095 0.000 1.005 693 E CA 1.303 57.749 56.400 0.077 0.000 0.810 693 E CB -0.347 29.381 29.700 0.046 0.000 0.736 693 E HN 0.567 nan 8.360 nan 0.000 0.460 694 N N -0.126 118.626 118.700 0.088 0.000 2.453 694 N HA -0.091 4.607 4.740 -0.070 0.000 0.183 694 N C 1.207 176.705 175.510 -0.021 0.000 1.041 694 N CA 0.402 53.454 53.050 0.004 0.000 0.900 694 N CB -0.309 38.130 38.487 -0.080 0.000 0.961 694 N HN 0.138 nan 8.380 nan 0.000 0.443 695 F N 1.683 121.584 119.950 -0.081 0.000 2.771 695 F HA 0.002 4.487 4.527 -0.071 0.000 0.299 695 F C 2.017 177.815 175.800 -0.003 0.000 1.177 695 F CA 0.432 58.378 58.000 -0.089 0.000 1.450 695 F CB -0.063 38.832 39.000 -0.176 0.000 1.114 695 F HN 0.125 nan 8.300 nan 0.000 0.587 696 K N 0.304 120.800 120.400 0.159 0.000 2.439 696 K HA -0.129 4.149 4.320 -0.070 0.000 0.197 696 K C 1.083 177.741 176.600 0.096 0.000 1.041 696 K CA 1.097 57.462 56.287 0.130 0.000 0.970 696 K CB -0.354 32.206 32.500 0.099 0.000 0.773 696 K HN 0.353 nan 8.250 nan 0.000 0.479 697 Q N 1.303 121.139 119.800 0.060 0.000 2.425 697 Q HA 0.064 4.362 4.340 -0.070 0.000 0.204 697 Q C 0.545 176.581 176.000 0.060 0.000 0.933 697 Q CA 0.236 56.064 55.803 0.042 0.000 0.939 697 Q CB 0.696 29.439 28.738 0.008 0.000 1.044 697 Q HN 0.328 nan 8.270 nan 0.000 0.513 698 V N -2.780 117.186 119.914 0.086 0.000 3.102 698 V HA 0.490 4.568 4.120 -0.070 0.000 0.312 698 V C -1.166 175.062 176.094 0.224 0.000 1.135 698 V CA -1.344 61.031 62.300 0.125 0.000 1.022 698 V CB 2.273 34.134 31.823 0.064 0.000 1.056 698 V HN -0.062 nan 8.190 nan 0.000 0.436 699 E N 1.635 121.995 120.200 0.266 0.000 2.146 699 E HA 0.498 4.806 4.350 -0.070 0.000 0.282 699 E C -1.776 175.185 176.600 0.601 0.000 0.989 699 E CA -0.329 56.295 56.400 0.373 0.000 0.799 699 E CB 1.602 31.443 29.700 0.235 0.000 1.088 699 E HN 0.673 nan 8.360 nan 0.000 0.397 700 Y N 3.417 123.981 120.300 0.439 0.000 2.409 700 Y HA 0.516 5.024 4.550 -0.070 0.000 0.343 700 Y C -1.710 174.292 175.900 0.171 0.000 0.973 700 Y CA -1.643 56.659 58.100 0.337 0.000 1.064 700 Y CB 1.094 39.764 38.460 0.351 0.000 1.207 700 Y HN 0.437 nan 8.280 nan 0.000 0.452 701 L N 7.624 128.604 121.223 -0.404 0.000 2.349 701 L HA 0.649 4.947 4.340 -0.070 0.000 0.278 701 L C -2.234 174.202 176.870 -0.724 0.000 0.996 701 L CA -0.754 53.685 54.840 -0.668 0.000 0.825 701 L CB 1.456 42.729 42.059 -1.311 0.000 1.243 701 L HN 0.636 nan 8.230 nan 0.000 0.412 702 L N 6.496 127.374 121.223 -0.575 0.000 2.333 702 L HA 0.746 5.044 4.340 -0.070 0.000 0.280 702 L C -1.324 175.415 176.870 -0.219 0.000 1.004 702 L CA -0.062 54.477 54.840 -0.501 0.000 0.820 702 L CB 1.408 43.169 42.059 -0.496 0.000 1.247 702 L HN 0.607 nan 8.230 nan 0.000 0.416 703 I N 4.342 124.801 120.570 -0.184 0.000 2.619 703 I HA 0.475 4.603 4.170 -0.070 0.000 0.292 703 I C -1.244 174.855 176.117 -0.029 0.000 1.100 703 I CA -0.656 60.593 61.300 -0.084 0.000 1.043 703 I CB 2.143 40.055 38.000 -0.148 0.000 1.239 703 I HN 0.697 nan 8.210 nan 0.000 0.420 704 H N 2.091 121.214 119.070 0.089 0.000 3.085 704 H HA 0.513 5.027 4.556 -0.070 0.000 0.356 704 H C -0.364 175.172 175.328 0.346 0.000 1.178 704 H CA -0.573 55.570 56.048 0.158 0.000 1.214 704 H CB 2.096 31.934 29.762 0.128 0.000 1.881 704 H HN 0.744 nan 8.280 nan 0.000 0.538 705 G N 0.596 109.699 108.800 0.505 0.000 2.415 705 G HA2 0.238 4.155 3.960 -0.070 0.000 0.269 705 G HA3 0.238 4.155 3.960 -0.070 0.000 0.269 705 G C 1.083 176.243 174.900 0.433 0.000 1.209 705 G CA 0.131 45.500 45.100 0.448 0.000 0.835 705 G HN 0.737 nan 8.290 nan 0.000 0.534 706 T N -0.909 113.773 114.554 0.213 0.000 3.023 706 T HA 0.130 4.438 4.350 -0.070 0.000 0.266 706 T C 1.714 176.407 174.700 -0.011 0.000 1.093 706 T CA 1.159 63.225 62.100 -0.056 0.000 1.129 706 T CB 0.202 68.956 68.868 -0.191 0.000 0.899 706 T HN 0.659 nan 8.240 nan 0.000 0.491 707 A N 1.227 124.112 122.820 0.109 0.000 2.577 707 A HA 0.314 4.592 4.320 -0.070 0.000 0.280 707 A C 0.414 177.976 177.584 -0.037 0.000 1.331 707 A CA -0.491 51.586 52.037 0.066 0.000 0.935 707 A CB -0.418 18.873 19.000 0.487 0.000 1.082 707 A HN 0.373 nan 8.150 nan 0.000 0.525 708 D N 1.482 121.883 120.400 0.002 0.000 2.346 708 D HA -0.001 4.596 4.640 -0.070 0.000 0.260 708 D C 0.459 176.740 176.300 -0.032 0.000 1.252 708 D CA 0.103 54.191 54.000 0.146 0.000 0.895 708 D CB 0.675 41.708 40.800 0.389 0.000 1.097 708 D HN 0.557 nan 8.370 nan 0.000 0.489 709 D N 2.305 122.737 120.400 0.054 0.000 2.348 709 D HA -0.124 4.473 4.640 -0.070 0.000 0.211 709 D C 0.875 177.116 176.300 -0.099 0.000 0.998 709 D CA -0.080 53.900 54.000 -0.033 0.000 0.873 709 D CB 0.430 41.175 40.800 -0.092 0.000 0.925 709 D HN 0.221 nan 8.370 nan 0.000 0.524 710 N N 0.810 119.534 118.700 0.041 0.000 2.426 710 N HA -0.040 4.658 4.740 -0.070 0.000 0.205 710 N C -0.094 175.320 175.510 -0.160 0.000 1.040 710 N CA 0.503 53.611 53.050 0.097 0.000 0.990 710 N CB 0.440 39.012 38.487 0.142 0.000 1.215 710 N HN -0.113 nan 8.380 nan 0.000 0.491 711 V N 2.938 122.764 119.914 -0.147 0.000 2.334 711 V HA 0.234 4.311 4.120 -0.070 0.000 0.267 711 V C -0.489 175.629 176.094 0.039 0.000 1.040 711 V CA -0.473 61.781 62.300 -0.078 0.000 0.866 711 V CB -0.137 31.703 31.823 0.029 0.000 1.019 711 V HN 0.286 nan 8.190 nan 0.000 0.468 712 H N 3.189 122.249 119.070 -0.015 0.000 2.790 712 H HA 0.067 4.580 4.556 -0.071 0.000 0.358 712 H C 0.733 175.901 175.328 -0.267 0.000 1.103 712 H CA -0.145 55.805 56.048 -0.164 0.000 1.426 712 H CB 0.832 30.410 29.762 -0.305 0.000 1.424 712 H HN 0.626 nan 8.280 nan 0.000 0.599 713 F N 1.846 121.589 119.950 -0.345 0.000 2.154 713 F HA -0.315 4.169 4.527 -0.071 0.000 0.301 713 F C 2.599 178.112 175.800 -0.479 0.000 1.087 713 F CA 1.843 59.441 58.000 -0.671 0.000 1.274 713 F CB -0.193 38.595 39.000 -0.352 0.000 1.009 713 F HN 0.675 nan 8.300 nan 0.000 0.485 714 Q N 0.199 119.843 119.800 -0.260 0.000 2.207 714 Q HA -0.356 3.942 4.340 -0.070 0.000 0.215 714 Q C 2.088 177.828 176.000 -0.433 0.000 1.006 714 Q CA 2.545 58.139 55.803 -0.349 0.000 0.903 714 Q CB -0.388 28.116 28.738 -0.390 0.000 0.947 714 Q HN 0.621 nan 8.270 nan 0.000 0.414 715 Q N -0.583 119.005 119.800 -0.354 0.000 2.096 715 Q HA -0.123 4.175 4.340 -0.070 0.000 0.204 715 Q C 2.199 178.081 176.000 -0.196 0.000 0.982 715 Q CA 1.742 57.451 55.803 -0.157 0.000 0.850 715 Q CB -0.070 28.663 28.738 -0.009 0.000 0.901 715 Q HN 0.328 nan 8.270 nan 0.000 0.422 716 S N 0.465 115.930 115.700 -0.391 0.000 2.425 716 S HA 0.056 4.484 4.470 -0.070 0.000 0.225 716 S C 2.020 176.360 174.600 -0.435 0.000 1.024 716 S CA 0.574 58.558 58.200 -0.360 0.000 0.951 716 S CB 0.003 62.996 63.200 -0.345 0.000 0.796 716 S HN 0.451 nan 8.310 nan 0.000 0.498 717 A N 1.624 124.074 122.820 -0.618 0.000 1.908 717 A HA -0.155 4.123 4.320 -0.070 0.000 0.218 717 A C 2.122 179.589 177.584 -0.194 0.000 1.181 717 A CA 1.224 53.039 52.037 -0.370 0.000 0.627 717 A CB -0.441 18.385 19.000 -0.290 0.000 0.818 717 A HN 0.369 nan 8.150 nan 0.000 0.445 718 Q N -0.541 119.152 119.800 -0.178 0.000 2.172 718 Q HA -0.016 4.281 4.340 -0.070 0.000 0.200 718 Q C 2.139 178.084 176.000 -0.092 0.000 0.964 718 Q CA 1.004 56.759 55.803 -0.081 0.000 0.855 718 Q CB -0.314 28.434 28.738 0.017 0.000 0.918 718 Q HN 0.786 nan 8.270 nan 0.000 0.444 719 I N 1.189 121.678 120.570 -0.134 0.000 2.142 719 I HA -0.305 3.823 4.170 -0.070 0.000 0.240 719 I C 2.626 178.586 176.117 -0.262 0.000 1.078 719 I CA 1.524 62.705 61.300 -0.199 0.000 1.343 719 I CB -0.533 37.352 38.000 -0.193 0.000 1.046 719 I HN 0.194 nan 8.210 nan 0.000 0.405 720 S N 1.062 116.639 115.700 -0.205 0.000 2.365 720 S HA -0.322 4.106 4.470 -0.070 0.000 0.225 720 S C 2.044 176.637 174.600 -0.013 0.000 1.039 720 S CA 1.783 59.924 58.200 -0.097 0.000 1.033 720 S CB -0.561 62.724 63.200 0.141 0.000 0.887 720 S HN 0.374 nan 8.310 nan 0.000 0.447 721 K N 1.745 122.129 120.400 -0.027 0.000 2.063 721 K HA 0.005 4.283 4.320 -0.070 0.000 0.208 721 K C 2.280 178.864 176.600 -0.027 0.000 1.048 721 K CA 1.226 57.510 56.287 -0.006 0.000 0.928 721 K CB -0.726 31.764 32.500 -0.018 0.000 0.713 721 K HN 0.472 nan 8.250 nan 0.000 0.442 722 A N 0.849 123.623 122.820 -0.077 0.000 1.930 722 A HA -0.092 4.186 4.320 -0.070 0.000 0.217 722 A C 2.071 179.596 177.584 -0.099 0.000 1.175 722 A CA 1.271 53.257 52.037 -0.084 0.000 0.627 722 A CB -0.537 18.396 19.000 -0.112 0.000 0.815 722 A HN 0.315 nan 8.150 nan 0.000 0.443 723 L N -0.634 120.482 121.223 -0.179 0.000 2.056 723 L HA -0.135 4.163 4.340 -0.070 0.000 0.207 723 L C 2.501 179.405 176.870 0.056 0.000 1.078 723 L CA 0.953 55.696 54.840 -0.163 0.000 0.749 723 L CB -0.619 41.139 42.059 -0.501 0.000 0.901 723 L HN 0.227 nan 8.230 nan 0.000 0.433 724 V N -0.211 119.784 119.914 0.135 0.000 2.332 724 V HA -0.297 3.780 4.120 -0.070 0.000 0.248 724 V C 2.000 178.136 176.094 0.070 0.000 1.055 724 V CA 1.898 64.283 62.300 0.141 0.000 1.038 724 V CB -0.587 31.315 31.823 0.131 0.000 0.651 724 V HN 0.428 nan 8.190 nan 0.000 0.450 725 D N -0.530 119.893 120.400 0.038 0.000 2.265 725 D HA -0.105 4.493 4.640 -0.070 0.000 0.208 725 D C 1.629 177.945 176.300 0.026 0.000 0.977 725 D CA 0.976 54.991 54.000 0.025 0.000 0.871 725 D CB 0.066 40.872 40.800 0.010 0.000 0.925 725 D HN 0.368 nan 8.370 nan 0.000 0.485 726 V N -0.689 119.243 119.914 0.030 0.000 3.319 726 V HA 0.257 4.335 4.120 -0.070 0.000 0.317 726 V C 1.098 177.224 176.094 0.052 0.000 1.411 726 V CA 0.666 62.986 62.300 0.033 0.000 1.112 726 V CB 0.173 32.008 31.823 0.020 0.000 1.031 726 V HN 0.328 nan 8.190 nan 0.000 0.448 727 G N 0.973 109.812 108.800 0.066 0.000 2.249 727 G HA2 -0.210 3.708 3.960 -0.070 0.000 0.273 727 G HA3 -0.210 3.708 3.960 -0.070 0.000 0.273 727 G C 0.109 175.073 174.900 0.107 0.000 1.036 727 G CA 0.471 45.618 45.100 0.079 0.000 0.824 727 G HN 0.544 nan 8.290 nan 0.000 0.504 728 V N 0.363 120.361 119.914 0.141 0.000 2.465 728 V HA 0.469 4.547 4.120 -0.070 0.000 0.279 728 V C 0.457 176.735 176.094 0.307 0.000 1.045 728 V CA -0.742 61.672 62.300 0.192 0.000 0.938 728 V CB 1.756 33.676 31.823 0.162 0.000 0.986 728 V HN 0.360 nan 8.190 nan 0.000 0.467 729 D N 3.495 124.053 120.400 0.262 0.000 2.264 729 D HA 0.628 5.225 4.640 -0.070 0.000 0.249 729 D C -0.573 175.983 176.300 0.427 0.000 1.070 729 D CA 0.096 54.244 54.000 0.247 0.000 0.912 729 D CB 1.110 41.983 40.800 0.121 0.000 1.193 729 D HN 0.350 nan 8.370 nan 0.000 0.427 730 F N -0.555 119.470 119.950 0.125 0.000 2.817 730 F HA 0.482 4.967 4.527 -0.071 0.000 0.317 730 F C -1.415 174.446 175.800 0.101 0.000 1.168 730 F CA -1.105 56.993 58.000 0.163 0.000 0.911 730 F CB 0.656 39.780 39.000 0.205 0.000 1.337 730 F HN 0.027 nan 8.300 nan 0.000 0.464 731 Q N 1.267 121.177 119.800 0.183 0.000 2.257 731 Q HA 0.841 5.139 4.340 -0.070 0.000 0.262 731 Q C -0.849 175.176 176.000 0.042 0.000 0.997 731 Q CA -0.804 55.014 55.803 0.026 0.000 0.873 731 Q CB 2.085 30.875 28.738 0.085 0.000 1.312 731 Q HN 1.061 nan 8.270 nan 0.000 0.450 732 A N 1.410 124.217 122.820 -0.022 0.000 2.515 732 A HA 0.877 5.155 4.320 -0.070 0.000 0.296 732 A C -1.274 176.256 177.584 -0.090 0.000 1.094 732 A CA -0.586 51.455 52.037 0.007 0.000 0.718 732 A CB 1.904 20.957 19.000 0.089 0.000 1.307 732 A HN 0.631 nan 8.150 nan 0.000 0.408 733 M N 1.269 120.798 119.600 -0.118 0.000 2.284 733 M HA 0.577 5.014 4.480 -0.070 0.000 0.281 733 M C -1.795 174.409 176.300 -0.160 0.000 1.083 733 M CA -0.447 54.644 55.300 -0.348 0.000 0.965 733 M CB 1.204 33.459 32.600 -0.574 0.000 1.717 733 M HN 0.945 nan 8.290 nan 0.000 0.479 734 W N 4.268 125.430 121.300 -0.230 0.000 2.436 734 W HA 0.766 5.383 4.660 -0.071 0.000 0.347 734 W C -1.991 174.297 176.519 -0.385 0.000 1.136 734 W CA -0.744 56.535 57.345 -0.109 0.000 1.286 734 W CB 0.328 29.760 29.460 -0.048 0.000 1.253 734 W HN 0.609 nan 8.180 nan 0.000 0.617 735 Y N 2.104 122.515 120.300 0.185 0.000 2.376 735 Y HA 0.298 4.806 4.550 -0.070 0.000 0.326 735 Y C 0.444 176.458 175.900 0.190 0.000 0.970 735 Y CA -1.073 57.061 58.100 0.057 0.000 1.248 735 Y CB 1.503 39.971 38.460 0.013 0.000 1.117 735 Y HN 0.409 nan 8.280 nan 0.000 0.476 736 T N 4.334 119.062 114.554 0.289 0.000 2.871 736 T HA -0.005 4.303 4.350 -0.070 0.000 0.296 736 T C 0.144 174.932 174.700 0.146 0.000 0.998 736 T CA 0.652 62.877 62.100 0.208 0.000 1.162 736 T CB -0.094 68.837 68.868 0.106 0.000 0.947 736 T HN 0.719 nan 8.240 nan 0.000 0.536 737 D N 0.888 121.358 120.400 0.118 0.000 3.079 737 D HA -0.118 4.479 4.640 -0.070 0.000 0.214 737 D C 0.270 176.728 176.300 0.262 0.000 1.145 737 D CA 1.146 55.181 54.000 0.059 0.000 0.958 737 D CB -0.355 40.266 40.800 -0.299 0.000 1.117 737 D HN 0.522 nan 8.370 nan 0.000 0.416 738 E N 0.546 120.905 120.200 0.266 0.000 2.250 738 E HA 0.392 4.700 4.350 -0.070 0.000 0.269 738 E C 0.719 177.504 176.600 0.308 0.000 1.018 738 E CA -0.388 56.180 56.400 0.279 0.000 0.873 738 E CB 1.347 31.195 29.700 0.247 0.000 1.134 738 E HN 0.288 nan 8.360 nan 0.000 0.403 739 D N -0.786 119.804 120.400 0.318 0.000 2.538 739 D HA 0.022 4.619 4.640 -0.070 0.000 0.262 739 D C 1.060 177.588 176.300 0.380 0.000 1.186 739 D CA -0.110 54.101 54.000 0.352 0.000 1.090 739 D CB -0.252 40.781 40.800 0.388 0.000 1.187 739 D HN 0.411 nan 8.370 nan 0.000 0.614 740 H N -1.594 117.655 119.070 0.298 0.000 2.457 740 H HA 0.174 4.688 4.556 -0.071 0.000 0.294 740 H C 1.895 177.488 175.328 0.443 0.000 1.064 740 H CA 2.040 58.286 56.048 0.331 0.000 1.330 740 H CB -0.310 29.630 29.762 0.295 0.000 1.395 740 H HN 0.479 nan 8.280 nan 0.000 0.541 741 G N -0.230 108.763 108.800 0.320 0.000 2.712 741 G HA2 0.020 3.938 3.960 -0.070 0.000 0.212 741 G HA3 0.020 3.938 3.960 -0.070 0.000 0.212 741 G C 0.538 175.628 174.900 0.317 0.000 1.142 741 G CA 0.266 45.474 45.100 0.180 0.000 0.789 741 G HN 0.516 nan 8.290 nan 0.000 0.535 742 I N -0.134 120.644 120.570 0.346 0.000 6.313 742 I HA -0.334 3.793 4.170 -0.070 0.000 0.126 742 I C 1.577 177.827 176.117 0.223 0.000 1.598 742 I CA 0.145 61.599 61.300 0.257 0.000 2.457 742 I CB -1.357 36.752 38.000 0.183 0.000 3.027 742 I HN 0.259 nan 8.210 nan 0.000 0.280 743 A N 1.334 124.262 122.820 0.181 0.000 2.252 743 A HA 0.219 4.497 4.320 -0.070 0.000 0.213 743 A C 1.279 178.919 177.584 0.093 0.000 1.188 743 A CA 0.641 52.751 52.037 0.121 0.000 0.863 743 A CB 0.160 19.207 19.000 0.079 0.000 0.893 743 A HN 0.691 nan 8.150 nan 0.000 0.495 744 S N 0.689 116.459 115.700 0.117 0.000 2.558 744 S HA 0.116 4.544 4.470 -0.070 0.000 0.287 744 S C 1.235 175.894 174.600 0.098 0.000 1.321 744 S CA 0.364 58.625 58.200 0.101 0.000 1.048 744 S CB 0.869 64.140 63.200 0.117 0.000 0.844 744 S HN 0.923 nan 8.310 nan 0.000 0.512 745 S N 1.364 117.108 115.700 0.074 0.000 2.395 745 S HA -0.132 4.296 4.470 -0.070 0.000 0.225 745 S C 1.973 176.641 174.600 0.112 0.000 1.027 745 S CA 1.035 59.282 58.200 0.080 0.000 0.965 745 S CB -1.665 61.554 63.200 0.031 0.000 0.812 745 S HN 1.085 nan 8.310 nan 0.000 0.482 746 T N -0.071 114.536 114.554 0.089 0.000 2.833 746 T HA 0.158 4.466 4.350 -0.070 0.000 0.269 746 T C 1.950 176.715 174.700 0.110 0.000 1.054 746 T CA 1.123 63.278 62.100 0.091 0.000 1.135 746 T CB -0.801 68.109 68.868 0.071 0.000 0.869 746 T HN 0.557 nan 8.240 nan 0.000 0.466 747 A N 1.233 124.109 122.820 0.092 0.000 1.897 747 A HA -0.000 4.277 4.320 -0.070 0.000 0.215 747 A C 2.161 179.733 177.584 -0.019 0.000 1.181 747 A CA 1.750 53.794 52.037 0.013 0.000 0.620 747 A CB -1.196 17.786 19.000 -0.030 0.000 0.821 747 A HN 0.752 nan 8.150 nan 0.000 0.443 748 H N 0.012 119.086 119.070 0.008 0.000 2.319 748 H HA -0.172 4.343 4.556 -0.070 0.000 0.299 748 H C 2.091 177.502 175.328 0.139 0.000 1.092 748 H CA 2.420 58.527 56.048 0.099 0.000 1.302 748 H CB -0.208 29.605 29.762 0.085 0.000 1.373 748 H HN 0.561 nan 8.280 nan 0.000 0.497 749 Q N -1.098 118.722 119.800 0.034 0.000 2.124 749 Q HA -0.196 4.102 4.340 -0.070 0.000 0.202 749 Q C 2.171 178.182 176.000 0.018 0.000 0.977 749 Q CA 1.402 57.188 55.803 -0.029 0.000 0.850 749 Q CB -0.164 28.596 28.738 0.036 0.000 0.901 749 Q HN 0.660 nan 8.270 nan 0.000 0.429 750 H N 0.541 119.599 119.070 -0.019 0.000 2.403 750 H HA 0.011 4.524 4.556 -0.071 0.000 0.298 750 H C 1.947 177.288 175.328 0.022 0.000 1.059 750 H CA 0.864 56.937 56.048 0.040 0.000 1.363 750 H CB 0.105 29.941 29.762 0.123 0.000 1.410 750 H HN 0.269 nan 8.280 nan 0.000 0.528 751 I N 0.105 120.663 120.570 -0.020 0.000 2.252 751 I HA -0.305 3.823 4.170 -0.070 0.000 0.245 751 I C 1.738 177.639 176.117 -0.360 0.000 1.102 751 I CA 1.120 62.299 61.300 -0.202 0.000 1.385 751 I CB -0.292 37.370 38.000 -0.564 0.000 1.064 751 I HN 0.104 nan 8.210 nan 0.000 0.414 752 Y N 1.112 121.201 120.300 -0.352 0.000 2.293 752 Y HA -0.213 4.295 4.550 -0.070 0.000 0.291 752 Y C 2.716 178.408 175.900 -0.346 0.000 1.137 752 Y CA 1.889 59.670 58.100 -0.532 0.000 1.202 752 Y CB -0.839 37.306 38.460 -0.526 0.000 0.990 752 Y HN 0.174 nan 8.280 nan 0.000 0.537 753 T N -1.755 112.724 114.554 -0.126 0.000 2.737 753 T HA -0.222 4.086 4.350 -0.070 0.000 0.265 753 T C 1.595 176.130 174.700 -0.275 0.000 1.038 753 T CA 1.815 63.781 62.100 -0.224 0.000 1.144 753 T CB -0.476 68.267 68.868 -0.209 0.000 0.866 753 T HN 0.435 nan 8.240 nan 0.000 0.434 754 H N 0.876 119.799 119.070 -0.244 0.000 2.319 754 H HA 0.056 4.570 4.556 -0.071 0.000 0.299 754 H C 2.202 177.518 175.328 -0.020 0.000 1.092 754 H CA 1.669 57.662 56.048 -0.093 0.000 1.302 754 H CB -0.243 29.471 29.762 -0.080 0.000 1.373 754 H HN 0.244 nan 8.280 nan 0.000 0.497 755 M N -0.623 118.949 119.600 -0.047 0.000 2.159 755 M HA -0.168 4.270 4.480 -0.070 0.000 0.263 755 M C 2.360 178.808 176.300 0.247 0.000 1.063 755 M CA 1.672 56.957 55.300 -0.025 0.000 1.110 755 M CB 0.019 32.370 32.600 -0.415 0.000 1.374 755 M HN 0.247 nan 8.290 nan 0.000 0.411 756 S N -0.731 115.129 115.700 0.267 0.000 2.383 756 S HA -0.126 4.302 4.470 -0.070 0.000 0.227 756 S C 1.649 176.368 174.600 0.197 0.000 1.026 756 S CA 0.884 59.324 58.200 0.398 0.000 0.981 756 S CB -0.598 62.873 63.200 0.451 0.000 0.818 756 S HN 0.473 nan 8.310 nan 0.000 0.472 757 H N 0.252 119.394 119.070 0.121 0.000 2.353 757 H HA -0.007 4.507 4.556 -0.070 0.000 0.300 757 H C 1.955 177.297 175.328 0.023 0.000 1.090 757 H CA 1.235 57.305 56.048 0.036 0.000 1.327 757 H CB -0.769 28.961 29.762 -0.054 0.000 1.383 757 H HN 0.484 nan 8.280 nan 0.000 0.508 758 F N 1.361 121.322 119.950 0.018 0.000 2.102 758 F HA -0.188 4.297 4.527 -0.071 0.000 0.298 758 F C 2.213 177.986 175.800 -0.045 0.000 1.105 758 F CA 0.902 58.879 58.000 -0.038 0.000 1.239 758 F CB -0.225 38.736 39.000 -0.065 0.000 0.991 758 F HN -0.059 nan 8.300 nan 0.000 0.474 759 I N 0.898 121.505 120.570 0.061 0.000 2.179 759 I HA -0.273 3.855 4.170 -0.070 0.000 0.242 759 I C 2.289 178.253 176.117 -0.255 0.000 1.088 759 I CA 1.449 62.627 61.300 -0.203 0.000 1.357 759 I CB -1.389 36.573 38.000 -0.063 0.000 1.051 759 I HN 0.212 nan 8.210 nan 0.000 0.409 760 K N 0.467 120.849 120.400 -0.029 0.000 2.044 760 K HA -0.232 4.045 4.320 -0.070 0.000 0.210 760 K C 2.076 178.677 176.600 0.002 0.000 1.049 760 K CA 1.567 57.880 56.287 0.043 0.000 0.927 760 K CB -0.251 32.317 32.500 0.112 0.000 0.713 760 K HN 0.474 nan 8.250 nan 0.000 0.443 761 Q N 0.068 119.830 119.800 -0.064 0.000 2.084 761 Q HA -0.175 4.123 4.340 -0.070 0.000 0.202 761 Q C 2.512 178.424 176.000 -0.147 0.000 0.978 761 Q CA 1.562 57.307 55.803 -0.096 0.000 0.844 761 Q CB -0.356 28.311 28.738 -0.118 0.000 0.898 761 Q HN 0.499 nan 8.270 nan 0.000 0.426 762 c N -0.230 118.183 118.600 -0.312 0.000 2.432 762 c HA -0.019 4.509 4.570 -0.070 0.000 0.282 762 c C 1.620 175.699 174.090 -0.018 0.000 1.388 762 c CA 0.044 56.195 56.329 -0.297 0.000 1.777 762 c CB -0.806 41.361 42.510 -0.571 0.000 1.882 762 c HN 0.348 nan 8.230 nan 0.000 0.520 763 F N 2.004 121.917 119.950 -0.062 0.000 2.641 763 F HA 0.284 4.769 4.527 -0.071 0.000 0.302 763 F C 1.564 177.349 175.800 -0.025 0.000 1.098 763 F CA -0.094 57.890 58.000 -0.027 0.000 1.318 763 F CB -1.101 37.891 39.000 -0.013 0.000 1.035 763 F HN 0.246 nan 8.300 nan 0.000 0.551 764 S N 1.128 116.907 115.700 0.132 0.000 3.491 764 S HA -0.229 4.198 4.470 -0.070 0.000 0.371 764 S C 0.189 174.832 174.600 0.071 0.000 0.980 764 S CA 0.161 58.402 58.200 0.068 0.000 1.204 764 S CB -2.106 61.120 63.200 0.043 0.000 0.915 764 S HN 0.236 nan 8.310 nan 0.000 0.482 765 L N 1.911 123.192 121.223 0.097 0.000 2.305 765 L HA 0.398 4.696 4.340 -0.070 0.000 0.281 765 L C -0.854 176.055 176.870 0.065 0.000 1.085 765 L CA -1.862 53.028 54.840 0.084 0.000 0.813 765 L CB 0.236 42.365 42.059 0.117 0.000 1.157 765 L HN 0.131 nan 8.230 nan 0.000 0.436 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.130 63.100 0.050 0.000 0.800 766 P CB 0.000 31.722 31.700 0.037 0.000 0.726